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.

Review of Heterogeneous Catalysts for Catalytically Upgrading Vegetable Oils into Hydrocarbon Biofuels

Directory of Open Access Journals (Sweden)

Xianhui Zhao

2017-03-01

Full Text Available To address the issues of greenhouse gas emissions associated with fossil fuels, vegetable oilseeds, especially non-food oilseeds, are used as an alternative fuel resource. Vegetable oil derived from these oilseeds can be upgraded into hydrocarbon biofuel. Catalytic cracking and hydroprocessing are two of the most promising pathways for converting vegetable oil to hydrocarbon biofuel. Heterogeneous catalysts play a critical role in those processes. The present review summarizes current progresses and remaining challenges of vegetable oil upgrading to biofuel. The catalyst properties, applications, deactivation, and regeneration are reviewed. A comparison of catalysts used in vegetable oil and bio-oil upgrading is also carried out. Some suggestions for heterogeneous catalysts applied in vegetable oil upgrading to improve the yield and quality of hydrocarbon biofuel are provided for further research in the future.

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].

Recent advances in heterogeneous catalytic conversion of glucose to 5-hydroxymethylfurfural via green routes

KAUST Repository

Wang, Jianjian

2017-05-12

With concerns of diminishing fossil fuel reserves and environmental deterioration, great efforts have been made to explore novel approaches of efficiently utilizing bio-renewable feedstocks to produce chemicals and fuels. 5-Hydroxymethylfurfural (HMF), generated from dehydration of six-carbon ketose, is regarded as a primary and versatile renewable building block to realize the goal of production of these high valued products from renewable biomass resources transformation. In this review, we summarize the recent advances via green routes in the heterogeneous reaction system for the catalytic production of HMF from glucose conversion, and emphasize reaction pathways of these reaction approaches based on the fundamental mechanistic chemistry as well as highlight the challenges (such as separation and purification of products, reusing and regeneration of catalyst, recycling solvent) in this field.

Investigation of combustion and thermodynamic performance of a lean burn catalytic combustion gas turbine system

International Nuclear Information System (INIS)

Yin Juan; Weng Yiwu

2011-01-01

The goals of this research were to investigate the combustion and thermodynamic performance of a lean burn catalytic combustion gas turbine. The characteristics of lean burn catalytic combustion were investigated by utilising 1D heterogeneous plug flow model which was validated by experiments. The effects of operating parameters on catalytic combustion were numerically analysed. The system models were built in ASPEN Plus and three independent design variables, i.e. compressor pressure ratio (PR), regenerator effectiveness (RE) and turbine inlet temperature (TIT) were selected to analyse the thermodynamic performance of the thermal cycle. The main results show that: simulations from 1D heterogeneous plug flow model can capture the trend of catalytic combustion and describe the behavior of the catalytic monolith in detail. Inlet temperature is the most significant parameter that impacts operation of the catalytic combustor. When TIT and RE are constant, the increase of PR results in lowering the inlet temperature of the catalytic combustor, which results in decreasing methane conversion. The peak thermal efficiency and the optimal PR at a constant TIT increase with the increase of TIT; and at the constant PR, the thermal efficiency increases with the increase of TIT. However, with lower TIT conditions, the optimal PR and the peak efficiency at a constant TIT of the LBCCGT cycle are relative low to that of the conventional cycle. When TIT and PR are constant, the decrease of RE may result in lower methane conversion. The influences of RE on the methane conversion and the thermal efficiency are more significant at higher PRs. The higher thermal efficiency for the lower RE is achieved at lower PR.

Kinetics of liquid-phase catalytic heterogeneous protium-tritium isotope exchange with participation of gaseous hydrogen

International Nuclear Information System (INIS)

Akulov, G.P.; Snetkova, E.V.; Kayumov, V.G.; Kaminskij, Yu.L.

1990-01-01

Reaction rate constants of catalytic (PdO/BaSO 4 (Al 2 O 3 ) catalyst) heterogeneous protium - tritium isotopic exchange D - [1- 3 H] of carbohydrates and gaseous oxygen have been measured. It is ascertained that the rate of isotopic exchange depends on the nature of carbohydrate, catalyst, buffer and medium acidity. The value of concentration of carbohydrate acyclic forms plays the determining role in the process

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.

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- ...

Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

International Nuclear Information System (INIS)

Gangopadhyay, A K; Krishna, H; Favazza, C; Miller, C; Kalyanaraman, R

2007-01-01

Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe 64.5 Cr 10 Si 13.5 B 9 Nb 3 alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen

Possibility of increasing the average rate of heterogeneous catalytic reactions by operating in the self-oscillating regime

Energy Technology Data Exchange (ETDEWEB)

Chumakov, G A; Slinko, M G

1979-05-01

The possibility of increasing the average rate of heterogeneous catalytic reactions by operating in the self-oscillating regime was demonstrated by analyzing a kinetic model of hydrogen interaction with oxygen over a metallic catalyst. Within a certain interval of partial pressures of oxygen, the average reaction rate over a period of oscillation may be over five times that of the steady-state reaction.

A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures

Energy Technology Data Exchange (ETDEWEB)

Belyi, A S; Fomichev, Yu V; Duplyakin, V K; Alfeev, V S

1977-07-01

A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures (i.e., up to 40 atm) and nearly isothermal conditions up to 600/sup 0/C was designed for the conversion of small quantities of petrochemical feeds or feed mixtures at uniform, controllable flow rates of 0.5-5.0 cc/hr, for direct gas-chromatographic analysis of product samples at the reactor outlet, and for continuous monitoring of the degree of conversion in processes that evolve or absorb hydrogen. The device includes a feed injection system with a unique sealing feature that ensures a constant flow of liquid from a feed buret under positive displacement by a counterweight piston at very low rates into a tubular reactor of the perfect mixing type, a highly efficient vaporizer-mixer, and a two-channel sampler leading to the chromatograph. The apparatus has proved reliable, accurate, and convenient in two years of regular use. Diagrams.

Heterogeneous nucleation of amorphous alloys on catalytic nanoparticles to produce 2D patterned nanocrystal arrays

Energy Technology Data Exchange (ETDEWEB)

Gangopadhyay, A K [Department of Physics, Washington University in St Louis, MO 63130 (United States); Krishna, H [Department of Physics, Washington University in St Louis, MO 63130 (United States); Favazza, C [Department of Physics, Washington University in St Louis, MO 63130 (United States); Miller, C [Center for Materials Innovation, Washington University in St Louis, MO 63130 (United States); Kalyanaraman, R [Department of Physics, Washington University in St Louis, MO 63130 (United States)

2007-12-05

Templates are widely used to produce artificial nanostructures. Here, laser-assisted self-organization has been used to form one- and two-dimensional (D) nanoarrays of Cu nanocrystals. Using these nanoarrays as a template, a 2D patterned ferromagnetic nanostructure of FeCrSi nanocrystals has been produced by heterogeneous nucleation and growth of nanocrystals by partial devitrification from an amorphous Fe{sub 64.5}Cr{sub 10}Si{sub 13.5}B{sub 9}Nb{sub 3} alloy with the Cu nanoparticles acting as catalytic nucleation sites. The interaction among the ferromagnetic nanocrystals via the residual amorphous matrix can be controlled by suitable choice of the amorphous alloy composition. Although demonstrated for a ferromagnetic system, the processing method may have much wider applicability for producing artificial nanostructures of a wide variety of materials when materials-specific catalysts and amorphous alloy compositions are judiciously chosen.

Preparation of H3-labelled methyl ethers of saturated fatty acids by heterogeneous catalytic isotope exchange in solution with gaseous tritium

International Nuclear Information System (INIS)

Shevchenko, V.P.; Myasoedov, N.F.

1980-01-01

A simple method of preparing 3 H-labelled methyl ethers of saturated fatty acids in the dioxane solution using the method of isotopic heterogenous catalytic exchange with gaseous tritium, is suggested. 3 H-labelled natural fatty acids (C 12 -C 18 ) are prepared by alkaline hydrolysis [ru

Real-Time Monitoring of Heterogeneous Catalysis with Mass Spectrometry

Science.gov (United States)

Young, Mark A.

2009-01-01

Heterogeneous, gas-solid processes constitute an important class of catalytic reactions that play a key role in a variety of applications, such as industrial processing and environmental controls. Heterogeneous catalytic chemistry can be demonstrated in a simple heated flow reactor containing a fragment of the catalytic converter from a vehicular…

Catalytic Reforming of Oxygenates: State of the Art and Future Prospects.

Science.gov (United States)

Li, Di; Li, Xinyu; Gong, Jinlong

2016-10-12

This Review describes recent advances in the design, synthesis, reactivity, selectivity, structural, and electronic properties of the catalysts for reforming of a variety of oxygenates (e.g., from simple monoalcohols to higher polyols, then to sugars, phenols, and finally complicated mixtures like bio-oil). A comprehensive exploration of the structure-activity relationship in catalytic reforming of oxygenates is carried out, assisted by state-of-the-art characterization techniques and computational tools. Critical emphasis has been given on the mechanisms of these heterogeneous-catalyzed reactions and especially on the nature of the active catalytic sites and reaction pathways. Similarities and differences (reaction mechanisms, design and synthesis of catalysts, as well as catalytic systems) in the reforming process of these oxygenates will also be discussed. A critical overview is then provided regarding the challenges and opportunities for research in this area with a focus on the roles that systems of heterogeneous catalysis, reaction engineering, and materials science can play in the near future. This Review aims to present insights into the intrinsic mechanism involved in catalytic reforming and provides guidance to the development of novel catalysts and processes for the efficient utilization of oxygenates for energy and environmental purposes.

A novel heterogeneous system for sulfate radical generation through sulfite activation on a CoFe2O4 nanocatalyst surface.

Science.gov (United States)

Liu, Zizheng; Yang, Shaojie; Yuan, Yanan; Xu, Jing; Zhu, Yifan; Li, Jinjun; Wu, Feng

2017-02-15

Heterogeneous catalytic activation is important for potential application of new sulfate-radical-based advanced oxidation process using sulfite as source of sulfate radical. We report herein a heterogeneous system for sulfite activation by CoFe 2 O 4 nanocatalyst for metoprolol removal. Factors that influence metoprolol removal were investigated, including pH and initial concentrations of components. The CoFe 2 O 4 nanocatalyst was characterized by X-ray diffractometry (XRD) and transmission electron microscopy (TEM), and the catalytic stability was tested by consecutive runs. Radicals generated in the CoFe 2 O 4 S(IV)O 2 system were identified through radical quenching experiments and by electron spin resonance (ESR). The catalytic mechanism was elucidated further by X-ray photoelectron spectroscopy (XPS). The catalytic process was dependent on initial pH, and more than 80% of the metoprolol can be removed at pH 10.0 following the Langmubir-Hinshelwood equation. The generation of Co-OH complexes on the CoFe 2 O 4 surface was crucial for sulfite activation. SO 4 - was verified to be the main oxidative species responsible for metoprolol degradation. Other organic pollutants, such as sulfanilamide, sulfasalazine, 2-nitroaniline, sulfapyridine, aniline, azo dye X-3B and 4-chloroaniline, could also be removed in this CoFe 2 O 4 S(IV)O 2 system. The results suggest that the CoFe 2 O 4 S(IV)O 2 system has good application prospects in alkaline organic wastewater treatment. Copyright © 2016 Elsevier B.V. All rights reserved.

The tritium labeling of Butibufen by heterogeneous catalytic exchange; Marcado del Butibufen con Tritio por inter- cambio catalitico en disolucion

Energy Technology Data Exchange (ETDEWEB)

Santamaria, J; Rebollo, D

1986-07-01

The labeling of a new non-steroidal antiinflammatory agent, Butibufen (2-(4-isobutylphenyl) butyric acid) was studied. The method used was heterogeneous catalytic exchange between Butibufen and tritiated water, obtained in situ. Purification was accomplished through thin layer chromatography. Concentration, purity and specific activity of the labeled drug were determined by ultraviolet and liquid scintillation techniques. (Author) 7 refs.

Heterogeneous Photo catalytic Degradation of Hazardous Waste in Aqueous Suspension

International Nuclear Information System (INIS)

Sadek, S.A.; Ebraheem, S.; Friesen, K.J.

1999-01-01

The photo catalytic degradation of hazardous waste like chlorinated paraffin compound (1,12-Dichlorodoecane Ded) was investigated in different aquatic media using GC-MSD. The direct photolysis of Ded in HPLC water was considered to be negligible (k = 0.0020+-0.0007h - 1 ) . An acceleration of the photodegradation rate was occurred in presence of different TiO 2 catalyst systems. Molecular oxygen was found to play a vital role in the degradation process. Anatase TiO 2 was proved to be the most efficient one (k=0.7670+-0.0876h -1 ), while the rate constant of the rutile TiO 2 was calculated to be 0.2780+-0.0342h -1 . Improvement of photo catalytic efficiency of rutile TiO 2 was achieved by addition of Fe +2 giving a rate constant =0.6710+-0.0786h -1

Heterogeneous catalytic ozonation of ciprofloxacin in water with carbon nanotube supported manganese oxides as catalyst

Energy Technology Data Exchange (ETDEWEB)

Sui, Minghao, E-mail: suiminghao.sui@gmail.com [State Key Laboratory of Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Tongji University, 1239 Siping Road, Shanghai 200092 (China); Xing, Sichu; Sheng, Li; Huang, Shuhang; Guo, Hongguang [State Key Laboratory of Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Tongji University, 1239 Siping Road, Shanghai 200092 (China)

2012-08-15

Highlights: Black-Right-Pointing-Pointer Ciprofloxacin in water was degraded by heterogeneous catalytic ozonation. Black-Right-Pointing-Pointer MnOx were supported on MWCNTs to serve as catalyst for ozonation. Black-Right-Pointing-Pointer MnOx/MWCNT exhibited highly catalytic activity on ozonation of ciprofloxacin in water. Black-Right-Pointing-Pointer MnOx/MWCNT resulted in effective antibacterial activity inhibition on ciprofloxacin. Black-Right-Pointing-Pointer MnOx/MWCNT promoted the generation of hydroxyl radicals. - Abstract: Carbon nanotube-supported manganese oxides (MnOx/MWCNT) were used as catalysts to assist ozone in degrading ciprofloxacin in water. Manganese oxides were successfully loaded on multi-walled carbon nanotube surfaces by simply impregnating the carbon nanotube with permanganate solution. The catalytic activities of MnOx/MWCNT in ciprofloxacin ozonation, including degradation, mineralization effectiveness, and antibacterial activity change, were investigated. The presence of MnOx/MWCNT significantly elevated the degradation and mineralization efficiency of ozone on ciprofloxacin. The microbiological assay with a reference Escherichia coli strain indicated that ozonation with MnOx/MWCNT results in more effective antibacterial activity inhibition of ciprofloxacin than that in ozonation alone. The effects of catalyst dose, initial ciprofloxacin concentration, and initial pH conditions on ciprofloxacin ozonation with MnOx/MWCNT were surveyed. Electron spin resonance trapping was applied to assess the role of MnOx/MWCNT in generating hydroxyl radicals (HO{center_dot}) during ozonation. Stronger 5,5-dimethyl-1-pyrroline-N-oxide-OH signals were observed in the ozonation with MnOx/MWCNT compared with those in ozonation alone, indicating that MnOx/MWCNT promoted the generation of hydroxyl radicals. The degradation of ciprofloxacin was studied in drinking water and wastewater process samples to gauge the potential effects of water background matrix on

Continuous-flow processes for the catalytic partial hydrogenation reaction of alkynes

Directory of Open Access Journals (Sweden)

Carmen Moreno-Marrodan

2017-04-01

Full Text Available The catalytic partial hydrogenation of substituted alkynes to alkenes is a process of high importance in the manufacture of several market chemicals. The present paper shortly reviews the heterogeneous catalytic systems engineered for this reaction under continuous flow and in the liquid phase. The main contributions appeared in the literature from 1997 up to August 2016 are discussed in terms of reactor design. A comparison with batch and industrial processes is provided whenever possible.

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.

Converting homogeneous to heterogeneous in electrophilic catalysis using monodisperse metal nanoparticles.

Science.gov (United States)

Witham, Cole A; Huang, Wenyu; Tsung, Chia-Kuang; Kuhn, John N; Somorjai, Gabor A; Toste, F Dean

2010-01-01

A continuing goal in catalysis is to unite the advantages of homogeneous and heterogeneous catalytic processes. To this end, nanoparticles represent a new frontier in heterogeneous catalysis, where this unification can also be supplemented by the ability to obtain new or divergent reactivity and selectivity. We report a novel method for applying heterogeneous catalysts to known homogeneous catalytic reactions through the design and synthesis of electrophilic platinum nanoparticles. These nanoparticles are selectively oxidized by the hypervalent iodine species PhICl(2), and catalyse a range of π-bond activation reactions previously only catalysed through homogeneous processes. Multiple experimental methods are used to unambiguously verify the heterogeneity of the catalytic process. The discovery of treatments for nanoparticles that induce the desired homogeneous catalytic activity should lead to the further development of reactions previously inaccessible in heterogeneous catalysis. Furthermore, a size and capping agent study revealed that Pt PAMAM dendrimer-capped nanoparticles demonstrate superior activity and recyclability compared with larger, polymer-capped analogues.

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.

Nano-Fe 3 O 4 /O 2 : Green, Magnetic and Reusable Catalytic ...

African Journals Online (AJOL)

, efficient, heterogeneous and reusable catalytic system for the synthesis of benzimidazoles via the reactions of o-phenylenediamine (1 eq) with aryl aldehydes (1 eq) in excellentyields (85–97 %) and short reaction times (30–100 min) with a ...

Direct instrumental identification of catalytically active surface sites

Science.gov (United States)

Pfisterer, Jonas H. K.; Liang, Yunchang; Schneider, Oliver; Bandarenka, Aliaksandr S.

2017-09-01

The activity of heterogeneous catalysts—which are involved in some 80 per cent of processes in the chemical and energy industries—is determined by the electronic structure of specific surface sites that offer optimal binding of reaction intermediates. Directly identifying and monitoring these sites during a reaction should therefore provide insight that might aid the targeted development of heterogeneous catalysts and electrocatalysts (those that participate in electrochemical reactions) for practical applications. The invention of the scanning tunnelling microscope (STM) and the electrochemical STM promised to deliver such imaging capabilities, and both have indeed contributed greatly to our atomistic understanding of heterogeneous catalysis. But although the STM has been used to probe and initiate surface reactions, and has even enabled local measurements of reactivity in some systems, it is not generally thought to be suited to the direct identification of catalytically active surface sites under reaction conditions. Here we demonstrate, however, that common STMs can readily map the catalytic activity of surfaces with high spatial resolution: we show that by monitoring relative changes in the tunnelling current noise, active sites can be distinguished in an almost quantitative fashion according to their ability to catalyse the hydrogen-evolution reaction or the oxygen-reduction reaction. These data allow us to evaluate directly the importance and relative contribution to overall catalyst activity of different defects and sites at the boundaries between two materials. With its ability to deliver such information and its ready applicability to different systems, we anticipate that our method will aid the rational design of heterogeneous catalysts.

Surface science and heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1980-05-01

The catalytic reactions studied include hydrocarbon conversion over platinum, the transition metal-catalyzed hydrogenation of carbon monoxide, and the photocatalyzed dissociation of water over oxide surfaces. The method of combined surface science and catalytic studies is similar to those used in synthetic organic chemistry. The single-crystal models for the working catalyst are compared with real catalysts by comparing the rates of cyclopropane ring opening on platinum and the hydrogenation of carbon monoxide on rhodium single crystal surface with those on practical commercial catalyst systems. Excellent agreement was obtained for these reactions. This document reviews what was learned about heterogeneous catalysis from these surface science approaches over the past 15 years and present models of the active catalyst surface

Investigations on the heterogenous catalytic hydrogenation using isotope effect and gamma- and neutron radiation

Energy Technology Data Exchange (ETDEWEB)

Kudlacek, R; Cabicar, J [Ceske Vysoke Uceni Technicke, Prague (Czechoslovakia). Katedra Jaderne Chemie

1976-01-01

The kinetic and solvent isotope effects during the maleic acid heterogeneous catalytic hydrogenation and deuteration in light and heavy water have been studied. Also the effect of the gamma and neutron irradiation on the Ni-ZnO catalysts (with various ratios of components) on the reaction kinetics and mechanism has been measured, as well as the effect of pH on the adsorption behaviour of maleic acid and the temperature dependence of the reaction rate. Existence of different adsorption centers for hydrogen and maleic acid could be deduced from these experiments. A reaction mechanism based on the two-dimensional diffusion of components in the surface is proposed. The catalyst is formed from Ni and ZnO-microspheres. Hydrogen is bound to nickel and maleic acid is adsorbed on the ZnO-microspheres. The reaction takes place on the boundary layers of these microspheres.

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 ...

Discovery of a metalloenzyme-like cooperative catalytic system of metal nanoclusters and catechol derivatives for the aerobic oxidation of amines.

Science.gov (United States)

Yuan, Hao; Yoo, Woo-Jin; Miyamura, Hiroyuki; Kobayashi, Shū

2012-08-29

We have discovered a new class of cooperative catalytic system, consisting of heterogeneous polymer-immobilized bimetallic Pt/Ir alloyed nanoclusters (NCs) and 4-tert-butylcatechol, for the aerobic oxidation of amines to imines under ambient conditions. After optimization, the desired imines were obtained in good to excellent yields with broad substrate scope. The reaction rate was determined to be first-order with respect to the substrate and catechol and zero-order for the alloyed Pt/Ir NC catalyst. Control studies revealed that both the heterogeneous NC catalyst and 4-tert-butylcatechol are essential and act cooperatively to facilitate the aerobic oxidation under mild conditions.

Particle-based modeling of heterogeneous chemical kinetics including mass transfer.

Science.gov (United States)

Sengar, A; Kuipers, J A M; van Santen, Rutger A; Padding, J T

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

Particle-based modeling of heterogeneous chemical kinetics including mass transfer

Science.gov (United States)

Sengar, A.; Kuipers, J. A. M.; van Santen, Rutger A.; Padding, J. T.

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

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.

A novel approach to the design and operation scheduling of heterogeneous catalytic reactors

International Nuclear Information System (INIS)

Ghodasara, Kamlesh; Smith, Robin; Hwang, Sungwon

2014-01-01

A number of studies have been conducted to reduce the overall level of catalyst deactivation in heterogeneous catalytic reactors, and improve the performance of reactors, such as yield, conversion or selectivity. The methodology generally includes optimization of the following: (1) operating conditions of the reaction system, such as feed temperature, normal operating temperature, pressure, and composition of feed streams; (2) reactor design parameters, such as dimension of the reactor, side stream distribution along the axis of the reactor beds, the mixing ratio of inert catalyst at each bed; and (3) catalyst design parameters, such as the pore size distribution across the pellet, active material distribution, size and shape of the catalyst, etc. Few studies have examined optimization of the overall catalyst reactor performance throughout the catalyst lifetime, considering catalyst deactivation. Furthermore, little attention has been given to the impact of various configurations of reactor networks and scheduling of the reactor operation (i.e., online and offline-regeneration) on the overall reactor performance throughout the catalyst lifetime. Therefore, we developed a range of feasible sequences of reactors and scheduling of reactors for operation and regeneration, and compared the overall reactor performance of multiple cases. Furthermore, a superstructure of reactor networks was developed and optimized to determine the optimum reactor network that shows the maximum overall reactor performance. The operating schedule of each reactor in the network was considered further. Lastly, the methodology was illustrated using a case study of the MTO (methanol to olefin) process

Design Technology for Heterogeneous Embedded Systems

CERN Document Server

O'Connor, Ian; Piguet, Christian

2012-01-01

Designing technology to address the problem of heterogeneous embedded systems, while remaining compatible with standard “More Moore” flows, i.e. capable of handling simultaneously both silicon complexity and system complexity, represents one of the most important challenges facing the semiconductor industry today. While the micro-electronics industry has built its own specific design methods to focus mainly on the management of complexity through the establishment of abstraction levels, the emergence of device heterogeneity requires new approaches enabling the satisfactory design of physically heterogeneous embedded systems for the widespread deployment of such systems. This book, compiled largely from a set of contributions from participants of past editions of the Winter School on Heterogeneous Embedded Systems Design Technology (FETCH), proposes a broad and holistic overview of design techniques used to tackle the various facets of heterogeneity in terms of technology and opportunities at the physical ...

Interconnecting heterogeneous database management systems

Science.gov (United States)

Gligor, V. D.; Luckenbaugh, G. L.

1984-01-01

It is pointed out that there is still a great need for the development of improved communication between remote, heterogeneous database management systems (DBMS). Problems regarding the effective communication between distributed DBMSs are primarily related to significant differences between local data managers, local data models and representations, and local transaction managers. A system of interconnected DBMSs which exhibit such differences is called a network of distributed, heterogeneous DBMSs. In order to achieve effective interconnection of remote, heterogeneous DBMSs, the users must have uniform, integrated access to the different DBMs. The present investigation is mainly concerned with an analysis of the existing approaches to interconnecting heterogeneous DBMSs, taking into account four experimental DBMS projects.

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

Converting Homogeneous to Heterogeneous in Electrophilic Catalysis using Monodisperse Metal Nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Witham, Cole A.; Huang, Wenyu; Tsung, Chia-Kuang; Kuhn, John N.; Somorjai, Gabor A.; Toste, F. Dean

2009-10-15

A continuing goal in catalysis is the transformation of processes from homogeneous to heterogeneous. To this end, nanoparticles represent a new frontier in heterogeneous catalysis, where this conversion is supplemented by the ability to obtain new or divergent reactivity and selectivity. We report a novel method for applying heterogeneous catalysts to known homogeneous catalytic reactions through the design and synthesis of electrophilic platinum nanoparticles. These nanoparticles are selectively oxidized by the hypervalent iodine species PhICl{sub 2}, and catalyze a range of {pi}-bond activation reactions previously only homogeneously catalyzed. Multiple experimental methods are utilized to unambiguously verify the heterogeneity of the catalytic process. The discovery of treatments for nanoparticles that induce the desired homogeneous catalytic activity should lead to the further development of reactions previously inaccessible in heterogeneous catalysis. Furthermore, our size and capping agent study revealed that Pt PAMAM dendrimer-capped nanoparticles demonstrate superior activity and recyclability compared to larger, polymer-capped analogues.

Application of in situ x-ray diffraction techniques in heterogenous catalytic systems

International Nuclear Information System (INIS)

Sharifah Bee Abd Hamid

2002-01-01

A broad range of techniques is available today for the characterisation of catalysts and the investigation of catalyst reaction mechanisms. However, only a limited number of those are suitable for in situ studies, i.e experiments performed in conditions mimicking or close as possible to real operating conditions. Various commercially and in-house developed in situ X-Ray diffraction (XRD) cells have been used to obtain information on the phase and structure of materials at the initial formation stage, activation methodology, calcination, reduction and carburization. A major advantage of the in situ X-ray cells is that it allows direct observations on the decomposition of precursors leading to various phases in a controlled environment, i.e. controlled temperature and pressure under specified gases. The cells can be operated both at high temperatures and high pressures, equipped with Position Sensitive Detector (PSD), feature which was used to study phase transformation occurring during the activation of various solids. In MoO 3 , XRD results provide detailed information on the hydrogen insertion into its lattice, followed by carburization providing good understanding on the mechanism in the solid transformation leading to the metastable MoC 1 -x phase. For the Bi-SnO x systems, the environmental cell coupled with XRD and PSD allow the design of activation procedure to obtain the active Bi 2 Sn 2 O 7 . The in situ XRD technique reveals crucial information on the initial stage of oxides formations prior to condensation reaction shown in MCM-41 and titania systems. In this presentation, discussions on general achievements and problems relating to the use of in situ XRD techniques as well as of specific examples selected to illustrate the use and potential of in situ XRD are made. It is not intended to be a review of the art but a highlight of the challenges which the catalytic and material scientists face when entering the avenue. (Author)

Selective heterogeneous catalytic hydrogenation of ketone (C═O) to alcohol (OH) by magnetite nanoparticles following Langmuir-Hinshelwood kinetic approach.

Science.gov (United States)

Shah, Muhammad Tariq; Balouch, Aamna; Rajar, Kausar; Sirajuddin; Brohi, Imdad Ali; Umar, Akrajas Ali

2015-04-01

Magnetite nanoparticles were successfully synthesized and effectively employed as heterogeneous catalyst for hydrogenation of ketone moiety to alcohol moiety by NaBH4 under the microwave radiation process. The improvement was achieved in percent recovery of isopropyl alcohol by varying and optimizing reaction time, power of microwave radiations and amount of catalyst. The catalytic study revealed that acetone would be converted into isopropyl alcohol (IPA) with 99.5% yield in short period of reaction time, using 10 μg of magnetite NPs (Fe3O4). It was observed that the catalytic hydrogenation reaction, followed second-order of reaction and the Langmuir-Hinshelwood kinetic mechanism, which elucidated that both reactants get adsorb onto the surface of silica coated magnetite nanocatalyst to react. Consequently, the rate-determining step was the surface reaction of acetone and sodium borohydride. The current study revealed an environment friendly conversion of acetone to IPA on the basis of its fast, efficient, and highly economical method of utilization of microwave irradiation process and easy catalyst recovery.

Use characterisation of a diatomite catalyst impregnated with iron in the heterogeneous catalytic ozonization process

International Nuclear Information System (INIS)

Garcia Herrera, Walter

2014-01-01

Advanced oxidation processes have had a promising option in the treatment of wastewater, mainly in the presence of emerging and persistent pollutants. Among these processes have highlighted the catalytic ozonization, which has showed positive results in water treatment. Heterogeneous catalytic ozonization was characterized using diatomite impregnated with iron at the Universidad de Costa Rica. Contaminant degradation model was quantified (spectrophotometrically) for ozonization process and catalytic ozonization with the catalyst studied (1.000 g / L) at three different pH 4, 7 and 10. The effect of the catalyst concentration in the solution (0.250, 0.500, 1000, 1500 and 2.000 g/L) was determined under the conditions of pH with better performance of the catalyst. Runs in the presence of tert-butyl alcohol (TBA), known hydroxyl radical scavenger were performed to evaluate the effect on ozone indirect reactions. The degree of mineralization obtained was measured in the catalytic process.The variation of the COD of the solution was quantified under the best working conditions obtained. Finally, the performance of the catalyst in 4 cycles of reuse was studied by monitoring the leached iron of the catalyst, which has turned out to be 12%. Most degradation of contaminant model in ozonization process was obtained at pH 10, in accordance with the above theory (Buhler, Stachelin, & Hoigne, 1984). In contrast, at pH 4 the catalyst has presented the best efficiency, to the 3 minutes the noncatalytic process was curettaged 35% of dye, while the catalytic process by 60% in the same time. The degradation of the contaminant was improved even in the case of noncatalytic process at pH 10, which the 3 minutes was degradated to 44%. The presence of the catalyst at initial pH of 7 and 10, has showed without significant improvements in the process. The solution concentration of catalyst has presented the best efficiency of degradation has been 2,000 g/L, which has increased 70% to 3

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)

Heterogeneous Embedded Real-Time Systems Environment

Science.gov (United States)

2003-12-01

AFRL-IF-RS-TR-2003-290 Final Technical Report December 2003 HETEROGENEOUS EMBEDDED REAL - TIME SYSTEMS ENVIRONMENT Integrated...HETEROGENEOUS EMBEDDED REAL - TIME SYSTEMS ENVIRONMENT 6. AUTHOR(S) Cosmo Castellano and James Graham 5. FUNDING NUMBERS C - F30602-97-C-0259

Molecular ingredients of heterogeneous catalysis

International Nuclear Information System (INIS)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described

Molecular ingredients of heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

1982-06-01

The purpose of this paper is to present a review and status report to those in theoretical chemistry of the rapidly developing surface science of heterogeneous catalysis. The art of catalysis is developing into science. This profound change provides one with opportunities not only to understand the molecular ingredients of important catalytic systems but also to develop new and improved catalyst. The participation of theorists to find answers to important questions is sorely needed for the sound development of the field. It is the authors hope that some of the outstanding problems of heterogeneous catalysis that are identified in this paper will be investigated. For this purpose the paper is divided into several sections. The brief Introduction to the methodology and recent results of the surface science of heterogeneous catalysis is followed by a review of the concepts of heterogeneous catalysis. Then, the experimental results that identified the three molecular ingredients of catalysis, structure, carbonaceous deposit and the oxidation state of surface atoms are described. Each section is closed with a summary and a list of problems that require theoretical and experimental scrutiny. Finally attempts to build new catalyst systems and the theoretical and experimental problems that appeared in the course of this research are described.

Catalytic oxidation for treatment of ECLSS and PMMS waste streams. [Process Material Management Systems

Science.gov (United States)

Akse, James R.; Thompson, John; Scott, Bryan; Jolly, Clifford; Carter, Donald L.

1992-01-01

Catalytic oxidation was added to the baseline multifiltration technology for use on the Space Station Freedom in order to convert low-molecular weight organic waste components such as alcohols, aldehydes, ketones, amides, and thiocarbamides to CO2 at low temperature (121 C), thereby reducing the total organic carbon (TOC) to below 500 ppb. The rate of reaction for the catalytic oxidation of aqueous organics to CO2 and water depends primarily upon the catalyst, temperature, and concentration of reactants. This paper describes a kinetic study conducted to determine the impact of each of these parameters upon the reaction rate. The results indicate that a classic kinetic model, the Langmuir-Hinshelwood rate equation for heterogeneous catalysis, can accurately represent the functional dependencies of this rate.

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

Science.gov (United States)

Ye, Rong

be versatile scaffolds for the synthesis and stabilization of small nanoclusters. Then these dendrimer-encapsulated metal clusters (DEMCs) are adsorbed onto mesoporous silica. Through this method, we have achieved selective transformations that had been challenging to accomplish in a heterogeneous setting, e.g. pi-bond activation and aldol reactions. Extensive investigation into the catalytic systems under reaction conditions allowed us to correlate the structural features (e.g. oxidation states) of the catalysts and their activity. Moreover, we have demonstrated that supported DEMCs are also excellent catalysts for typical heterogeneous reactions, including hydrogenation and alkane isomerization. Critically, these investigations also confirmed that the supported DEMCs are heterogeneous and stable against leaching. Catalysts optimization is achieved through the modulation of various parameters. The clusters are oxidized (e.g., with PhICl2) or reduced (e.g., with H2) in situ. Changing the dendrimer properties (e.g., generation, terminal functional groups) is analogous to ligand modification in homogeneous catalysts, which affect both catalytic activity and selectivity. Similarly, pore size of the support is another factor in determining product distribution. In a flow reactor, the flow rate is adjusted to control the residence time of the starting material and intermediates, and thus the final product selectivity. Our approach to heterogeneous catalysis affords various advantages: (1) the catalyst system can tap into the reactivity typical to homogeneous catalysts, which conventional heterogeneous catalysts could not achieve; (2) unlike most homogeneous catalysts with comparable performance, the heterogenized homogeneous catalysts can be recycled; (3) improved activity or selectivity compared to conventional homogeneous catalysts is possible because of uniquely heterogeneous parameters for optimization. While localized surface plasmon resonance (LSPR) provides a

Catalytic cracking of bio-oil to organic liquid product (OLP).

Science.gov (United States)

Hew, K L; Tamidi, A M; Yusup, S; Lee, K T; Ahmad, M M

2010-11-01

The main objective of this paper is to find the optimum operating condition to upgrade the EFB-derived pyrolysis oil (bio-oil) to liquid fuel, mainly gasoline using Taguchi Method. From the analysis that has been done, it is found that the optimum operating condition for heterogeneous catalytic cracking process is at 400 degrees C, 15min of reaction time using 30g of catalyst weight where operating at this condition produced the highest yield of gasoline fraction which is 91.67 wt.%. This observation proves that EFB-derived pyrolysis oil could be upgraded via heterogeneous catalytic cracking to produce gasoline.

Contrast and Synergy between Electrocatalysis and Heterogeneous Catalysis

Directory of Open Access Journals (Sweden)

Andrzej Wieckowski

2011-01-01

Full Text Available The advances in spectroscopy and theory that have occurred over the past two decades begin to provide detailed in situ resolution of the molecular transformations that occur at both gas/metal as well as aqueous/metal interfaces. These advances begin to allow for a more direct comparison of heterogeneous catalysis and electrocatalysis. Such comparisons become important, as many of the current energy conversion strategies involve catalytic and electrocatalytic processes that occur at fluid/solid interfaces and display very similar characteristics. Herein, we compare and contrast a few different catalytic and electrocatalytic systems to elucidate the principles that cross-cut both areas and establish characteristic differences between the two with the hope of advancing both areas.

Lignin Valorization using Heterogenous Catalytic Oxidation

DEFF Research Database (Denmark)

Melián Rodríguez, Mayra; Shunmugavel, Saravanamurugan; Kegnæs, Søren

The research interests in biomass conversion to fuels and chemicals has increased significantly in the last decade in view of current problems such as global warming, high oil prices, food crisis and other geopolitical scenarios. Many different reactions and processes to convert biomass into high...... of the reaction conditions 4. Here, we therefore present an overview of the recent research about conversion of some lignin model compounds using heterogeneous catalysis in oxidation reactions....

Catalytic reaction in a porous solid subject to a boundary layer flow

Energy Technology Data Exchange (ETDEWEB)

Mihail, R; Teddorescu, C

1978-01-01

A mathematical model of a boundary layer flowing past a catalytic slab was developed which included an analysis of the coupled mass and heat transfer and the heterogeneous chemical reaction. The porous flat plate was used to illustrate the interaction of boundary layer flow with chemical reaction within a porous catalytic body. The model yielded systems of transcendental equations which were solved numerically by means of a superposition integral in connection with a norm reduction procedure. A parametric study was conducted and an analysis of the possible multiplicity of steady states was developed and illustrated for the extreme case of infinite solid thermal conductivity. Tables, diagrams, graphs, and 12 references.

The tritium labelling of organic molecules by heterogeneous catalytic exchange; El marcado de moleculas organicas con tritio por intercambio catalitico heterogeneo

Energy Technology Data Exchange (ETDEWEB)

Angoso Marina, M; Kaiser Ruiz del Olmo, F.

1977-07-01

The influence of the temperature at 65 degree centigree and 120 degree centigree on the labelling of three organic molecules with tritium was studied. The compounds were: benzoic acid, de phenyl glyoxal and 2,3-tetramethylene-4-pantothenyl-7-oxo diacetin.The method employed was the heterogeneous catalytic exchange between tritiated water and the organic compound. The purification was made by thin-layer chromatography and the concentration, purity and specific activity of the products were determined by counting and ultraviolet techniques. The thermal stability and the radiolytic effects on labelled benzoic acid were also considered. (Author) 9 refs.

Individual heterogeneity generating explosive system network dynamics.

Science.gov (United States)

Manrique, Pedro D; Johnson, Neil F

2018-03-01

Individual heterogeneity is a key characteristic of many real-world systems, from organisms to humans. However, its role in determining the system's collective dynamics is not well understood. Here we study how individual heterogeneity impacts the system network dynamics by comparing linking mechanisms that favor similar or dissimilar individuals. We find that this heterogeneity-based evolution drives an unconventional form of explosive network behavior, and it dictates how a polarized population moves toward consensus. Our model shows good agreement with data from both biological and social science domains. We conclude that individual heterogeneity likely plays a key role in the collective development of real-world networks and communities, and it cannot be ignored.

Individual heterogeneity generating explosive system network dynamics

Science.gov (United States)

Manrique, Pedro D.; Johnson, Neil F.

2018-03-01

Individual heterogeneity is a key characteristic of many real-world systems, from organisms to humans. However, its role in determining the system's collective dynamics is not well understood. Here we study how individual heterogeneity impacts the system network dynamics by comparing linking mechanisms that favor similar or dissimilar individuals. We find that this heterogeneity-based evolution drives an unconventional form of explosive network behavior, and it dictates how a polarized population moves toward consensus. Our model shows good agreement with data from both biological and social science domains. We conclude that individual heterogeneity likely plays a key role in the collective development of real-world networks and communities, and it cannot be ignored.

Laser-Induced Fluorescence Detection in High-Throughput Screening of Heterogeneous Catalysts and Single Cells Analysis

Energy Technology Data Exchange (ETDEWEB)

Su, Hui [Iowa State Univ., Ames, IA (United States)

2001-01-01

Laser-induced fluorescence detection is one of the most sensitive detection techniques and it has found enormous applications in various areas. The purpose of this research was to develop detection approaches based on laser-induced fluorescence detection in two different areas, heterogeneous catalysts screening and single cell study. First, we introduced laser-induced imaging (LIFI) as a high-throughput screening technique for heterogeneous catalysts to explore the use of this high-throughput screening technique in discovery and study of various heterogeneous catalyst systems. This scheme is based on the fact that the creation or the destruction of chemical bonds alters the fluorescence properties of suitably designed molecules. By irradiating the region immediately above the catalytic surface with a laser, the fluorescence intensity of a selected product or reactant can be imaged by a charge-coupled device (CCD) camera to follow the catalytic activity as a function of time and space. By screening the catalytic activity of vanadium pentoxide catalysts in oxidation of naphthalene, we demonstrated LIFI has good detection performance and the spatial and temporal resolution needed for high-throughput screening of heterogeneous catalysts. The sample packing density can reach up to 250 x 250 subunits/cm₂ for 40-μm wells. This experimental set-up also can screen solid catalysts via near infrared thermography detection.

Laser-Induced Fluorescence Detection in High-Throughput Screening of Heterogeneous Catalysts and Single Cells Analysis

International Nuclear Information System (INIS)

Hui Su

2001-01-01

Laser-induced fluorescence detection is one of the most sensitive detection techniques and it has found enormous applications in various areas. The purpose of this research was to develop detection approaches based on laser-induced fluorescence detection in two different areas, heterogeneous catalysts screening and single cell study. First, we introduced laser-induced imaging (LIFI) as a high-throughput screening technique for heterogeneous catalysts to explore the use of this high-throughput screening technique in discovery and study of various heterogeneous catalyst systems. This scheme is based on the fact that the creation or the destruction of chemical bonds alters the fluorescence properties of suitably designed molecules. By irradiating the region immediately above the catalytic surface with a laser, the fluorescence intensity of a selected product or reactant can be imaged by a charge-coupled device (CCD) camera to follow the catalytic activity as a function of time and space. By screening the catalytic activity of vanadium pentoxide catalysts in oxidation of naphthalene, we demonstrated LIFI has good detection performance and the spatial and temporal resolution needed for high-throughput screening of heterogeneous catalysts. The sample packing density can reach up to 250 x 250 subunits/cm(sub 2) for 40-(micro)m wells. This experimental set-up also can screen solid catalysts via near infrared thermography detection

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.

A novel heterogeneous system for sulfate radical generation through sulfite activation on a CoFe{sub 2}O{sub 4} nanocatalyst surface

Energy Technology Data Exchange (ETDEWEB)

Liu, Zizheng [School of Civil Engineering, Wuhan University, Wuhan, 430072 (China); Yang, Shaojie; Yuan, Yanan; Xu, Jing; Zhu, Yifan [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China); Li, Jinjun, E-mail: ljj0410@163.com [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China); Wu, Feng, E-mail: fengwu@whu.edu.cn [Department of Environmental Science, Hubei Key Lab of Biomass Resource Chemistry and Environmental Biotechnology, School of Resources and Environmental Science, Wuhan University, Wuhan, 430079 (China)

2017-02-15

Highlights: • CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system is proposed as a new system of sulfate radical based AOPs. • Alkaline pH favors the activation of sulfite on CoFe{sub 2}O{sub 4} surface to produce oxysulfur radicals. • Generation of Co−OH complexes on the surface of CoFe{sub 2}O{sub 4} is the main factor for sulfite activation. • Degradation of organic contaminants by CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system were achieved. • Main intermediates and pathways for the degradation of metoprolol were identified. - Abstract: Heterogeneous catalytic activation is important for potential application of new sulfate-radical-based advanced oxidation process using sulfite as source of sulfate radical. We report herein a heterogeneous system for sulfite activation by CoFe{sub 2}O{sub 4} nanocatalyst for metoprolol removal. Factors that influence metoprolol removal were investigated, including pH and initial concentrations of components. The CoFe{sub 2}O{sub 4} nanocatalyst was characterized by X-ray diffractometry (XRD) and transmission electron microscopy (TEM), and the catalytic stability was tested by consecutive runs. Radicals generated in the CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system were identified through radical quenching experiments and by electron spin resonance (ESR). The catalytic mechanism was elucidated further by X-ray photoelectron spectroscopy (XPS). The catalytic process was dependent on initial pH, and more than 80% of the metoprolol can be removed at pH 10.0 following the Langmubir-Hinshelwood equation. The generation of Co-OH complexes on the CoFe{sub 2}O{sub 4} surface was crucial for sulfite activation. SO{sub 4}{sup ·−} was verified to be the main oxidative species responsible for metoprolol degradation. Other organic pollutants, such as sulfanilamide, sulfasalazine, 2-nitroaniline, sulfapyridine, aniline, azo dye X-3B and 4-chloroaniline, could also be removed in this CoFe{sub 2}O{sub 4}−S(IV)−O{sub 2} system. The

Photocatalytic carbon dioxide reduction with rhodium-based catalysts in solution and heterogenized within metal-organic frameworks.

Science.gov (United States)

Chambers, Matthew B; Wang, Xia; Elgrishi, Noémie; Hendon, Christopher H; Walsh, Aron; Bonnefoy, Jonathan; Canivet, Jérôme; Quadrelli, Elsje Alessandra; Farrusseng, David; Mellot-Draznieks, Caroline; Fontecave, Marc

2015-02-01

The first photosensitization of a rhodium-based catalytic system for CO2 reduction is reported, with formate as the sole carbon-containing product. Formate has wide industrial applications and is seen as valuable within fuel cell technologies as well as an interesting H2 -storage compound. Heterogenization of molecular rhodium catalysts is accomplished via the synthesis, post-synthetic linker exchange, and characterization of a new metal-organic framework (MOF) Cp*Rh@UiO-67. While the catalytic activities of the homogeneous and heterogeneous systems are found to be comparable, the MOF-based system is more stable and selective. Furthermore it can be recycled without loss of activity. For formate production, an optimal catalyst loading of ∼10 % molar Rh incorporation is determined. Increased incorporation of rhodium catalyst favors thermal decomposition of formate into H2 . There is no precedent for a MOF catalyzing the latter reaction so far. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimal Control of Heterogeneous Systems with Endogenous Domain of Heterogeneity

International Nuclear Information System (INIS)

Belyakov, Anton O.; Tsachev, Tsvetomir; Veliov, Vladimir M.

2011-01-01

The paper deals with optimal control of heterogeneous systems, that is, families of controlled ODEs parameterized by a parameter running over a domain called domain of heterogeneity. The main novelty in the paper is that the domain of heterogeneity is endogenous: it may depend on the control and on the state of the system. This extension is crucial for several economic applications and turns out to rise interesting mathematical problems. A necessary optimality condition is derived, where one of the adjoint variables satisfies a differential inclusion (instead of equation) and the maximization of the Hamiltonian takes the form of “min-max”. As a consequence, a Pontryagin-type maximum principle is obtained under certain regularity conditions for the optimal control. A formula for the derivative of the objective function with respect to the control from L ∞ is presented together with a sufficient condition for its existence. A stylized economic example is investigated analytically and numerically.

Formal heterogeneous system modeling with SystemC

DEFF Research Database (Denmark)

Niaki, Seyed Hosein Attarzadeh; Jakobsen, Mikkel Koefoed; Sulonen, Tero

2012-01-01

Electronic System Level (ESL) design of embedded systems proposes raising the abstraction level of the design entry to cope with the increasing complexity of such systems. To exploit the benefits of ESL, design languages should allow specification of models which are a) heterogeneous, to describe...

Enhanced Heterogeneous Catalytic Conversion of Furfuryl Alcohol into Butyl Levulinate

NARCIS (Netherlands)

Carà, P.D..; Ciriminna, R.; Shiju, N.R.; Rothenberg, G.; Pagliaro, M.

2014-01-01

We study the catalytic condensation of furfuryl alcohol with 1-butanol to butyl levulinate. A screening of several commercial and as-synthesized solid acid catalysts shows that propylsulfonic acid-functionalized mesoporous silica outperforms the state-of-the-art phosphotungstate acid catalysts. The

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)

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.

Auto-ignition of methane-air mixtures flowing along an array of thin catalytic plates

Science.gov (United States)

Treviño, C.

2010-12-01

In this paper, the heterogeneous ignition of a methane-air mixture flowing along an infinite array of catalytic parallel plates has been studied by inclusion of gas expansion effects and the finite heat conduction on the plates. The system of equations considers the full compressible Navier-Stokes equations coupled with the energy equations of the plates. The gas expansion effects which arise from temperature changes have been considered. The heterogeneous kinetics considers the adsorption and desorption reactions for both reactants. The limits of large and small longitudinal thermal conductance of the plate material are analyzed and the critical conditions for ignition are obtained in closed form. The governing equations are solved numerically using finite differences. The results show that ignition is more easily produced as the longitudinal wall thermal conductance increases, and the effects of the gas expansion on the catalytic ignition process are rather small due to the large value of the activation energy of the desorption reaction of adsorbed oxygen atoms.

Tuning CNT Properties for Metal-Free Environmental Catalytic Applications

Directory of Open Access Journals (Sweden)

Raquel P. Rocha

2016-06-01

Full Text Available The application of carbon nanotubes (CNTs as metal-free catalysts is a novel approach for heterogeneous liquid phase catalytic systems. Textural and chemical modifications by liquid/gas phase or mechanical treatments, as well as solid state reactions, were successfully applied to obtain carbon nanotubes with different surface functionalities. Oxygen, nitrogen, and sulfur are the most common heteroatoms introduced on the carbon surface. This short-review highlights different routes used to develop metal-free carbon nanotube catalysts with enhanced properties for Advanced Oxidation Processes.

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.

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.

Hydrogenation of citral into its derivatives using heterogeneous catalyst

Science.gov (United States)

Sudiyarmanto, Hidayati, Luthfiana Nurul; Kristiani, Anis; Aulia, Fauzan

2017-11-01

Citral as known as a monoterpene can be found in plants and citrus fruits. The hydrogenation of citral into its derivatives become interesting area for scientist. This compound and its derivatives can be used for many application in pharmaceuticals and food areas. The development of heterogeneous catalysts become an important aspect in catalytic hydrogenation citral process. Nickel supported catalysts are well known as hydrogenation catalyst. These heterogeneous catalysts were tested their catalytic activity in hydrogenation of citral. The effect of various operation conditions, in term of feed concentration, catalyst loading, temperature, and reaction time were also studied. The liquid products produced were analyzed by using Gas Chromatography-Mass Spectroscopy (GC-MS). The result of catalytic activity tests showed nickel skeletal catalyst exhibits best catalytic activity in hydrogenation of citral. The optimum of operation condition was achieved in citral concentration 0.1 M with nickel skeletal catalyst loading of 10% (w/w) at 80 °C and 20 bar for 2 hours produced the highest conversion as of 64.20% and the dominant product resulted was citronellal as of 56.48%.

Dependence of crystal size on the catalytic performance of a porous coordination polymer.

Science.gov (United States)

Kiyonaga, Tomokazu; Higuchi, Masakazu; Kajiwara, Takashi; Takashima, Yohei; Duan, Jingui; Nagashima, Kazuro; Kitagawa, Susumu

2015-02-14

Submicrosized MOF-76(Yb) exhibits a higher catalytic performance for esterification than microsized MOF-76(Yb). Control of the crystal size of porous heterogeneous catalysts, such as PCP/MOFs, offers a promising approach to fabricating high-performance catalysts based on accessibility to the internal catalytic sites.

Heterogeneous nanocomposites composed of silver sulfide and hollow structured Pd nanoparticles with enhanced catalytic activity toward formic acid oxidation

International Nuclear Information System (INIS)

Chen, Dong; Cui, Penglei; Liu, Hui; Yang, Jun

2015-01-01

Highlights: • Core–shell Ag-Ag/Pd nanoparticles with an Ag core and an Ag/Pd alloy shell are prepared via galvanic replacement reaction. • Heterogeneous Ag2S-hollow Pd nanocomposites are fabricated by converting the Ag component into Ag2S using element sulfur. • The heterogeneous Ag2S-hollow Pd nanocomposites display enhanced activity for formic acid oxidation due to electronic coupling effect. • The methodology may find applications to produce the semiconductor-metal nanocomposites with interesting architectures and tailored functionalities. - Abstract: Nanocomposites consisting semiconductor and noble metal domains are of great interest for their synergistic effect-based enhanced properties in a given application. Herein, we demonstrate a facile approach for the synthesis of heterogeneous nanocomposites consisting of silver sulfide (Ag 2 S) and hollow structured Pd nanoparticles (hPd). It begins with the preparation of core–shell nanoparticles with an Ag core and an alloy Ag/Pd shell in an organic solvent via galvanic replacement reaction (GRR) between Ag seed particles pre-synthesized and Pd 2+ ion precursors. The Ag component is then removed from the core and shell regions of core–shell Ag-Ag/Pd nanoparticles, and converted into Ag 2 S by elemental sulfur (S). The Ag 2 S forms the semiconductor domain in the nanocomposite and shares the solid-state interface with the resultant hollow structured Pd nanoparticle. As demonstrated, the Ag 2 S-hPd nanocomposites exhibit superior catalytic activity and durability for formic acid oxidation, compared to the pure Pd nanoparticles prepared by oleylamine reduction of Pd ion precursors and commercial Pd/C catalyst, due to the electronic coupling between semiconductor and noble metal domains in the nanocomposites. In addition, the structural transformation from core–shell to heterogeneous nanocomposites may provide new opportunities to design and fabricate hybrid nanostructures with interesting

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...

Regulating the surface of nanoceria and its applications in heterogeneous catalysis

Science.gov (United States)

Ma, Yuanyuan; Gao, Wei; Zhang, Zhiyun; Zhang, Sai; Tian, Zhimin; Liu, Yuxuan; Ho, Johnny C.; Qu, Yongquan

2018-03-01

Ceria (CeO2) as a support, additive, and active component for heterogeneous catalysis has been demonstrated to have great catalytic performance, which includes excellent thermal structural stability, catalytic efficiency, and chemoselectivity. Understanding the surface properties of CeO2 and the chemical reactions occurred on the corresponding interfaces is of great importance in the rational design of heterogeneous catalysts for various reactions. In general, the reversible Ce3+/Ce4+ redox pair and the surface acid-base properties contribute to the superior intrinsic catalytic capability of CeO2, and hence yield enhanced catalytic phenomenon in many reactions. Particularly, nanostructured CeO2 is characterized by a large number of surface-bound defects, which are primarily oxygen vacancies, as the surface active catalytic sites. Many efforts have therefore been made to control the surface defects and properties of CeO2 by various synthetic strategies and post-treatments. The present review provides a comprehensive overview of recent progress in regulating the surface structure and composition of CeO2 and its applications in catalysis.

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

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.

Science.gov (United States)

Liu, Lichen; Corma, Avelino

2018-05-23

Metal species with different size (single atoms, nanoclusters, and nanoparticles) show different catalytic behavior for various heterogeneous catalytic reactions. It has been shown in the literature that many factors including the particle size, shape, chemical composition, metal-support interaction, and metal-reactant/solvent interaction can have significant influences on the catalytic properties of metal catalysts. The recent developments of well-controlled synthesis methodologies and advanced characterization tools allow one to correlate the relationships at the molecular level. In this Review, the electronic and geometric structures of single atoms, nanoclusters, and nanoparticles will be discussed. Furthermore, we will summarize the catalytic applications of single atoms, nanoclusters, and nanoparticles for different types of reactions, including CO oxidation, selective oxidation, selective hydrogenation, organic reactions, electrocatalytic, and photocatalytic reactions. We will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities (single atoms, nanoclusters, and nanoparticles) in a unifying manner.

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.

Understanding the mechanism of catalytic fast pyrolysis by unveiling reactive intermediates in heterogeneous catalysis

Science.gov (United States)

Hemberger, Patrick; Custodis, Victoria B. F.; Bodi, Andras; Gerber, Thomas; van Bokhoven, Jeroen A.

2017-06-01

Catalytic fast pyrolysis is a promising way to convert lignin into fine chemicals and fuels, but current approaches lack selectivity and yield unsatisfactory conversion. Understanding the pyrolysis reaction mechanism at the molecular level may help to make this sustainable process more economic. Reactive intermediates are responsible for product branching and hold the key to unveiling these mechanisms, but are notoriously difficult to detect isomer-selectively. Here, we investigate the catalytic pyrolysis of guaiacol, a lignin model compound, using photoelectron photoion coincidence spectroscopy with synchrotron radiation, which allows for isomer-selective detection of reactive intermediates. In combination with ambient pressure pyrolysis, we identify fulvenone as the central reactive intermediate, generated by catalytic demethylation to catechol and subsequent dehydration. The fulvenone ketene is responsible for the phenol formation. This technique may open unique opportunities for isomer-resolved probing in catalysis, and holds the potential for achieving a mechanistic understanding of complex, real-life catalytic processes.

Heterogeneously Catalyzed Oxidation Reactions Using Molecular Oxygen

DEFF Research Database (Denmark)

Beier, Matthias Josef

Heterogeneously catalyzed selective oxidation reactions have attracted a lot of attention in recent time. The first part of the present thesis provides an overview over heterogeneous copper and silver catalysts for selective oxidations in the liquid phase and compared the performance and catalytic...... that both copper and silver can function as complementary catalyst materials to gold showing different catalytic properties and being more suitable for hydrocarbon oxidation reactions. Potential opportunities for future research were outlined. In an experimental study, the potential of silver as a catalyst...... revealed that all catalysts were more active in combination with ceria nanoparticles and that under the tested reaction conditions silver was equally or even more efficient than the gold catalysts. Calcination at 900 °C of silver on silica prepared by impregnation afforded a catalyst which was used...

Interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials: A review.

Science.gov (United States)

He, Jie; Yang, Xiaofang; Men, Bin; Wang, Dongsheng

2016-01-01

The heterogeneous Fenton reaction can generate highly reactive hydroxyl radicals (OH) from reactions between recyclable solid catalysts and H2O2 at acidic or even circumneutral pH. Hence, it can effectively oxidize refractory organics in water or soils and has become a promising environmentally friendly treatment technology. Due to the complex reaction system, the mechanism behind heterogeneous Fenton reactions remains unresolved but fascinating, and is crucial for understanding Fenton chemistry and the development and application of efficient heterogeneous Fenton technologies. Iron-based materials usually possess high catalytic activity, low cost, negligible toxicity and easy recovery, and are a superior type of heterogeneous Fenton catalysts. Therefore, this article reviews the fundamental but important interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials. OH, hydroperoxyl radicals/superoxide anions (HO2/O2(-)) and high-valent iron are the three main types of reactive oxygen species (ROS), with different oxidation reactivity and selectivity. Based on the mechanisms of ROS generation, the interfacial mechanisms of heterogeneous Fenton systems can be classified as the homogeneous Fenton mechanism induced by surface-leached iron, the heterogeneous catalysis mechanism, and the heterogeneous reaction-induced homogeneous mechanism. Different heterogeneous Fenton systems catalyzed by characteristic iron-based materials are comprehensively reviewed. Finally, related future research directions are also suggested. Copyright © 2015. Published by Elsevier B.V.

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.

Heterogeneous Catalysis of Polyoxometalate Based Organic–Inorganic Hybrids

Directory of Open Access Journals (Sweden)

Yuanhang Ren

2015-03-01

Full Text Available Organic–inorganic hybrid polyoxometalate (POM compounds are a subset of materials with unique structures and physical/chemical properties. The combination of metal-organic coordination complexes with classical POMs not only provides a powerful way to gain multifarious new compounds but also affords a new method to modify and functionalize POMs. In parallel with the many reports on the synthesis and structure of new hybrid POM compounds, the application of these compounds for heterogeneous catalysis has also attracted considerable attention. The hybrid POM compounds show noteworthy catalytic performance in acid, oxidation, and even in asymmetric catalytic reactions. This review summarizes the design and synthesis of organic–inorganic hybrid POM compounds and particularly highlights their recent progress in heterogeneous catalysis.

Physical chemistry of catalytic reduction of nitroarenes using various nanocatalytic systems: past, present, and future

International Nuclear Information System (INIS)

Begum, Robina; Rehan, Rida; Farooqi, Zahoor H.; Butt, Zonarah; Ashraf, Sania

2016-01-01

The catalytic reduction of nitroarenes under various catalytic systems has been widely reported in the flood of publications during last twenty years. This reaction has become a benchmark for testing catalytic activity of inorganic nanoparticles stabilized in various systems. This tutorial review presents design and classification of inorganic nanocatalysts along with their stabilizing agents used for catalytic reduction of nitroarenes. The techniques used for characterization of catalysts have been highlighted in this review. The mechanism of catalytic reduction has been described in a tutorial way. Factors affecting the rate of reduction of nitroarenes in the presence of metal nanoparticles stabilized in polyelectrolyte brushes, polyionic liquids, micelles, dendrimers, and microgels have been discussed for further development in this area.Graphical abstract

Physical chemistry of catalytic reduction of nitroarenes using various nanocatalytic systems: past, present, and future

Energy Technology Data Exchange (ETDEWEB)

Begum, Robina [University of the Punjab, Centre for Undergraduate Studies (Pakistan); Rehan, Rida; Farooqi, Zahoor H., E-mail: zhfarooqi@gmail.com; Butt, Zonarah; Ashraf, Sania [University of the Punjab, Institute of Chemistry (Pakistan)

2016-08-15

The catalytic reduction of nitroarenes under various catalytic systems has been widely reported in the flood of publications during last twenty years. This reaction has become a benchmark for testing catalytic activity of inorganic nanoparticles stabilized in various systems. This tutorial review presents design and classification of inorganic nanocatalysts along with their stabilizing agents used for catalytic reduction of nitroarenes. The techniques used for characterization of catalysts have been highlighted in this review. The mechanism of catalytic reduction has been described in a tutorial way. Factors affecting the rate of reduction of nitroarenes in the presence of metal nanoparticles stabilized in polyelectrolyte brushes, polyionic liquids, micelles, dendrimers, and microgels have been discussed for further development in this area.Graphical abstract.

Catalytic activity of metallic nanoisland coatings. The influence of size effects on the recombination properties

International Nuclear Information System (INIS)

Tomilina, O A; Berzhansky, V N; Shaposhnikov, A N; Tomilin, S V

2016-01-01

The results of investigations of the quantum-size effects influence on selective properties of heterogeneous nanocatalysts are presents. As etalon exothermic reaction was used the reaction of atomic hydrogen recombination. The nanostructured Pd and Pt films on Teflon substrate were used as a samples of heterogeneous nanocatalysts. It was shown that for nanoparticles with various sizes the catalytic activity has the periodic dependence. It has been found that for certain sizes of nanoparticles their catalytic activity is less than that of Teflon substrate. (paper)

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.

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.

Robust mechanobiological behavior emerges in heterogeneous myosin systems

Science.gov (United States)

Egan, Paul F.; Moore, Jeffrey R.; Ehrlicher, Allen J.; Weitz, David A.; Schunn, Christian; Cagan, Jonathan; LeDuc, Philip

2017-09-01

Biological complexity presents challenges for understanding natural phenomenon and engineering new technologies, particularly in systems with molecular heterogeneity. Such complexity is present in myosin motor protein systems, and computational modeling is essential for determining how collective myosin interactions produce emergent system behavior. We develop a computational approach for altering myosin isoform parameters and their collective organization, and support predictions with in vitro experiments of motility assays with α-actinins as molecular force sensors. The computational approach models variations in single myosin molecular structure, system organization, and force stimuli to predict system behavior for filament velocity, energy consumption, and robustness. Robustness is the range of forces where a filament is expected to have continuous velocity and depends on used myosin system energy. Myosin systems are shown to have highly nonlinear behavior across force conditions that may be exploited at a systems level by combining slow and fast myosin isoforms heterogeneously. Results suggest some heterogeneous systems have lower energy use near stall conditions and greater energy consumption when unloaded, therefore promoting robustness. These heterogeneous system capabilities are unique in comparison with homogenous systems and potentially advantageous for high performance bionanotechnologies. Findings open doors at the intersections of mechanics and biology, particularly for understanding and treating myosin-related diseases and developing approaches for motor molecule-based technologies.

Nanoscale heterogeneity at the aqueous electrolyte-electrode interface

Science.gov (United States)

Limmer, David T.; Willard, Adam P.

2015-01-01

Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically, we describe the impact of a disordered and slowly evolving adsorbed layer of water on the molecular structure and dynamics of the electrolyte solution adjacent to it. Generically, we find that densities and mobilities of both water and dissolved ions are spatially heterogeneous in the plane parallel to the electrode over nanosecond timescales. These and other recent results are analyzed in the context of available experimental literature from surface science and electrochemistry. We speculate on the implications of this emerging microscopic picture on the catalytic proficiency of hydrated electrodes, offering a new direction for study in heterogeneous catalysis at the nanoscale.

Measuring the effects of heterogeneity on distributed systems

Science.gov (United States)

El-Toweissy, Mohamed; Zeineldine, Osman; Mukkamala, Ravi

1991-01-01

Distributed computer systems in daily use are becoming more and more heterogeneous. Currently, much of the design and analysis studies of such systems assume homogeneity. This assumption of homogeneity has been mainly driven by the resulting simplicity in modeling and analysis. A simulation study is presented which investigated the effects of heterogeneity on scheduling algorithms for hard real time distributed systems. In contrast to previous results which indicate that random scheduling may be as good as a more complex scheduler, this algorithm is shown to be consistently better than a random scheduler. This conclusion is more prevalent at high workloads as well as at high levels of heterogeneity.

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.

Collective Motion in Behaviorally Heterogeneous Systems

Science.gov (United States)

Copenhagen, Katherine

Collective motion is a widespread phenomenon in nature where individuals actively propel themselves, gather together and move as a group. Some examples of collective motion are bird flocks, fish schools, bacteria swarms, cell clusters, and crowds of people. Many models seek to understand the effects of activity in collective systems including things such as environmental disorder, density, and interaction details primarily at infinite size limits and with uniform populations. In this dissertation I investigate the effects of finite sizes and behavioral heterogeneity as it exists in nature. Behavioral heterogeneity can originate from several different sources. Mixed populations of individuals can have inherently different behaviors such as mutant bacteria, injured fish, or agents that prefer individualistic behavior over coordinated motion. Alternatively, agents may modify their own behavior based on some local environmental dependency, such as local substrate, or density. In cases such as mutant cheaters in bacteria or malfunctioning drones in swarms, mixed populations of behaviorally heterogeneous agents can be modelled as arising in the form of aligning and non-aligning agents. When this kind of heterogeneity is introduced, there is a critical carrying capacity of non-aligners above which the system is unable to form a cohesive ordered group. However, if the cohesion of the group is relaxed to allow for fracture, the system will actively sort out non-aligning agents the system will exist at a critical non-aligner fraction. A similar heterogeneity could result in a mixture of high and low noise individuals. In this case there is also a critical carry capacity beyond which the system is unable to reach an ordered state, however the nature of this transition depends on the model details. Agents which are part of an ordered collective may vary their behavior as the group changes environments such as a flock of birds flying into a cloud. Using a unique model of a

Graphene: a promising two-dimensional support for heterogeneous catalysts

Directory of Open Access Journals (Sweden)

Xiaobin eFan

2015-01-01

Full Text Available Graphene has many advantages that make it an attractive two-dimensional (2D support for heterogeneous catalysts. It not only allows the high loading of targeted catalytic species, but also facilitates the mass transfer during the reaction processes. These advantages, along with its unique physical and chemical properties, endow graphene great potential as catalyst support in heterogeneous catalysis.

Studies of Catalytic Model Systems

DEFF Research Database (Denmark)

Holse, Christian

The overall topic of this thesis is within the field of catalysis, were model systems of different complexity have been studied utilizing a multipurpose Ultra High Vacuum chamber (UHV). The thesis falls in two different parts. First a simple model system in the form of a ruthenium single crystal...... of the Cu/ZnO nanoparticles is highly relevant to industrial methanol synthesis for which the direct interaction of Cu and ZnO nanocrystals synergistically boost the catalytic activity. The dynamical behavior of the nanoparticles under reducing and oxidizing environments were studied by means of ex situ X......-ray Photoelectron Electron Spectroscopy (XPS) and in situ Transmission Electron Microscopy (TEM). The surface composition of the nanoparticles changes reversibly as the nanoparticles exposed to cycles of high-pressure oxidation and reduction (200 mbar). Furthermore, the presence of metallic Zn is observed by XPS...

Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial Considerations

International Nuclear Information System (INIS)

Vilcocq, L.; Cabiac, A.; Guillon, E.; Especel, C.; Duprez, D.

2013-01-01

Decreasing oil supplies and increasing energy demand provide incentives to find alternative fuels. First, the valorisation of edible crops for ethanol and bio-diesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic biomass as a source of renewable carbon (second generation biofuels). Whereas the cellulosic ethanol production is in progress, a new way consisting of the transformation of ex-lignocellulose sugars and polyols towards light hydrocarbons by heterogeneous catalysis in aqueous phase has been recently described. This process is performed under mild conditions (T < 300 deg. C and P < 50 bar). It requires on one hand hydrogen formation by catalytic reforming of carbohydrates in aqueous phase and on the other hand, the dehydration/hydrogenation of polyols leading to alkanes by selective C-O bond cleavages. The challenge here is to conceive multifunctional catalytic systems that are stable, active and selective under the reaction conditions. The aim of this article is to present the involved reactions, the catalytic systems described in literature for that kind of transformation and examples of industrial applications. (authors)

Upgrading Lignocellulosic Biomasses: Hydrogenolysis of Platform Derived Molecules Promoted by Heterogeneous Pd-Fe Catalysts

Directory of Open Access Journals (Sweden)

Claudia Espro

2017-03-01

Full Text Available This review provides an overview of heterogeneous bimetallic Pd-Fe catalysts in the C–C and C–O cleavage of platform molecules such as C2–C6 polyols, furfural, phenol derivatives and aromatic ethers that are all easily obtainable from renewable cellulose, hemicellulose and lignin (the major components of lignocellulosic biomasses. The interaction between palladium and iron affords bimetallic Pd-Fe sites (ensemble or alloy that were found to be very active in several sustainable reactions including hydrogenolysis, catalytic transfer hydrogenolysis (CTH and aqueous phase reforming (APR that will be highlighted. This contribution concentrates also on the different synthetic strategies (incipient wetness impregnation, deposition-precipitaion, co-precipitaion adopted for the preparation of heterogeneous Pd-Fe systems as well as on the main characterization techniques used (XRD, TEM, H2-TPR, XPS and EXAFS in order to elucidate the key factors that influence the unique catalytic performances observed.

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.

Grafting heterogeneous catalyst with gamma radiation

International Nuclear Information System (INIS)

Garnett, J.L.; Long, M.A.; Levot, R.G.

1984-01-01

A process for the production of a heterogeneous catalyst comprises the steps of: irradiating an organic macromolecular substrate or a metal substrate with ionising or ultra violet radiation in the presence of a monomer selected from the group consisting of o-, m-, or p- styryl diphenyl phosphine and o-, m- or p- phenyl acrylyl diphenyl phosphine, to graft the monomer to the substrate; and reacting the graft copolymer with a homogeneous catalyst selected from the group consisting of catalytic metal salts and catalytic organometallic complexes such that the graft copolymer conjugate becomes a ligand of the catalyst

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.

Uniformity index measurement technology using thermocouples to improve performance in urea-selective catalytic reduction systems

Science.gov (United States)

Park, Sangki; Oh, Jungmo

2018-05-01

The current commonly used nitrogen oxides (NOx) emission reduction techniques employ hydrocarbons (HCs), urea solutions, and exhaust gas emissions as the reductants. Two of the primary denitrification NOx (DeNOx) catalyst systems are the HC-lean NOx trap (HC-LNT) catalyst and urea-selective catalytic reduction (urea-SCR) catalyst. The secondary injection method depends on the type of injector, injection pressure, atomization, and spraying technique. In addition, the catalyst reaction efficiency is directly affected by the distribution of injectors; hence, the uniformity index (UI) of the reductant is very important and is the basis for system optimization. The UI of the reductant is an indicator of the NOx conversion efficiency (NCE), and good UI values can reduce the need for a catalyst. Therefore, improving the UI can reduce the cost of producing a catalytic converter, which are expensive due to the high prices of the precious metals contained therein. Accordingly, measurement of the UI is an important process in the development of catalytic systems. Two of the commonly used methods for measuring the reductant UI are (i) measuring the exhaust emissions at many points located upstream/downstream of the catalytic converter and (ii) acquisition of a reductant distribution image on a section of the exhaust pipe upstream of the catalytic converter. The purpose of this study is to develop a system and measurement algorithms to measure the exothermic response distribution in the exhaust gas as the reductant passes through the catalytic converter of the SCR catalyst system using a set of thermocouples downstream of the SCR catalyst. The system is used to measure the reductant UI, which is applied in real-time to the actual SCR system, and the results are compared for various types of mixtures for various engine operating conditions and mixer types in terms of NCE.

A Dynamic Supramolecular System Exhibiting Substrate Selectivity in the Catalytic Epoxidation of Olefins

DEFF Research Database (Denmark)

Jonsson, Stefan; Odille, Fabrice G. J.; Norrby, Per-Ola

2005-01-01

A dynamic supramolecular system involving hydrogen bonding between a Mn(III) salen catalyst and a Zn(II) porphyrin receptor exhibits selectivity for pyridine appended cis-beta-substituted styrene derivatives over phenyl appended derivatives in a catalytic epoxidation reaction.......A dynamic supramolecular system involving hydrogen bonding between a Mn(III) salen catalyst and a Zn(II) porphyrin receptor exhibits selectivity for pyridine appended cis-beta-substituted styrene derivatives over phenyl appended derivatives in a catalytic epoxidation reaction....

Selective catalytic oxidation of hydrocarbons as a challenge to the chemical engineer

Energy Technology Data Exchange (ETDEWEB)

Emig, G [Erlangen-Nuernberg Univ., Erlangen (Germany, F.R.). Inst. fuer Technische Chemie 1

1977-11-01

In the conversion of the most important chemical raw materials, natural oil and natural gas, to intermediate or end products, selective catalytic oxidation plays an increasing role. This method makes it possible in many cases to use more economical, single-step processes instead of the older multi-step processes. Using the typical example of propylene oxidation or ammonoxidation, the problems encountered by chemical engineers in the development of a heterogeneous-catalytic method of oxidation are demonstrated. The importance of systematic catalyst development is stressed. General aspects of the development of novel processes or the improvement of existing catalytic processes are discussed.

Solid strong base K-Pt/NaY zeolite nano-catalytic system for completed elimination of formaldehyde at room temperature

Science.gov (United States)

Song, Shaoqing; Wu, Xi; Lu, Changhai; Wen, Meicheng; Le, Zhanggao; Jiang, Shujuan

2018-06-01

Solid strong base nano-catalytic system of K-modification NaY zeolite supported 0.08% Pt (K-Pt/NaY) were constructed for eliminating HCHO at room temperature. In the catalytic process, activation energy over K-Pt/NaY nano-catalytic system was greatly decreased along with the enhanced reaction rate. Characterization and catalytic tests revealed the surface electron structure of K-Pt/NaY was improved, as reflected by the enhanced HCHO adsorption capability, high sbnd OH concentration, and low-temperature reducibility. Therefore, the optimal K-Pt/NaY showed high catalytic efficiency and strong H2O tolerance for HCHO elimination by directly promoting the reaction between active sbnd OH and formate species. These results may suggest a new way for probing the advanced solid strong base nano-catalytic system for the catalytic elimination of indoor HCHO.

Monodisperse Platinum and Rhodium Nanoparticles as Model Heterogeneous Catalysts

Energy Technology Data Exchange (ETDEWEB)

Grass, Michael Edward [Univ. of California, Berkeley, CA (United States)

2008-09-01

Model heterogeneous catalysts have been synthesized and studied to better understand how the surface structure of noble metal nanoparticles affects catalytic performance. In this project, monodisperse rhodium and platinum nanoparticles of controlled size and shape have been synthesized by solution phase polyol reduction, stabilized by polyvinylpyrrolidone (PVP). Model catalysts have been developed using these nanoparticles by two methods: synthesis of mesoporous silica (SBA-15) in the presence of nanoparticles (nanoparticle encapsulation, NE) to form a composite of metal nanoparticles supported on SBA-15 and by deposition of the particles onto a silicon wafer using Langmuir-Blodgett (LB) monolayer deposition. The particle shapes were analyzed by transmission electron microscopy (TEM) and high resolution TEM (HRTEM) and the sizes were determined by TEM, X-ray diffraction (XRD), and in the case of NE samples, room temperature H₂ and CO adsorption isotherms. Catalytic studies were carried out in homebuilt gas-phase reactors. For the nanoparticles supported on SBA-15, the catalysts are in powder form and were studied using the homebuilt systems as plug-flow reactors. In the case of nanoparticles deposited on silicon wafers, the same systems were operated as batch reactors. This dissertation has focused on the synthesis, characterization, and reaction studies of model noble metal heterogeneous catalysts. Careful control of particle size and shape has been accomplished though solution phase synthesis of Pt and Rh nanoparticles in order to elucidate further structure-reactivity relationships in noble metal catalysis.

Optimization of Hierarchically Scheduled Heterogeneous Embedded Systems

DEFF Research Database (Denmark)

Pop, Traian; Pop, Paul; Eles, Petru

2005-01-01

We present an approach to the analysis and optimization of heterogeneous distributed embedded systems. The systems are heterogeneous not only in terms of hardware components, but also in terms of communication protocols and scheduling policies. When several scheduling policies share a resource......, they are organized in a hierarchy. In this paper, we address design problems that are characteristic to such hierarchically scheduled systems: assignment of scheduling policies to tasks, mapping of tasks to hardware components, and the scheduling of the activities. We present algorithms for solving these problems....... Our heuristics are able to find schedulable implementations under limited resources, achieving an efficient utilization of the system. The developed algorithms are evaluated using extensive experiments and a real-life example....

H∞ Consensus for Multiagent Systems with Heterogeneous Time-Varying Delays

Directory of Open Access Journals (Sweden)

Beibei Wang

2013-01-01

Full Text Available We apply the linear matrix inequality method to consensus and H∞ consensus problems of the single integrator multiagent system with heterogeneous delays in directed networks. To overcome the difficulty caused by heterogeneous time-varying delays, we rewrite the multiagent system into a partially reduced-order system and an integral system. As a result, a particular Lyapunov function is constructed to derive sufficient conditions for consensus of multiagent systems with fixed (switched topologies. We also apply this method to the H∞ consensus of multiagent systems with disturbances and heterogeneous delays. Numerical examples are given to illustrate the theoretical results.

Microchannel Reactor System for Catalytic Hydrogenation

Energy Technology Data Exchange (ETDEWEB)

Adeniyi Lawal; Woo Lee; Ron Besser; Donald Kientzler; Luke Achenie

2010-12-22

We successfully demonstrated a novel process intensification concept enabled by the development of microchannel reactors, for energy efficient catalytic hydrogenation reactions at moderate temperature, and pressure, and low solvent levels. We designed, fabricated, evaluated, and optimized a laboratory-scale microchannel reactor system for hydrogenation of onitroanisole and a proprietary BMS molecule. In the second phase of the program, as a prelude to full-scale commercialization, we designed and developed a fully-automated skid-mounted multichannel microreactor pilot plant system for multiphase reactions. The system is capable of processing 1 – 10 kg/h of liquid substrate, and an industrially relevant immiscible liquid-liquid was successfully demonstrated on the system. Our microreactor-based pilot plant is one-of-akind. We anticipate that this process intensification concept, if successfully demonstrated, will provide a paradigm-changing basis for replacing existing energy inefficient, cost ineffective, environmentally detrimental slurry semi-batch reactor-based manufacturing practiced in the pharmaceutical and fine chemicals industries.

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.

The activity of catalytic systems based on zero-valent nickel complexes in propene dimerization

Energy Technology Data Exchange (ETDEWEB)

Shmidt, F.K.; Mironova, L.V.; Proidakov, A.G.; Kalabin, G.A.; Ratovskii, G.V.; Dmitrieva, T.V.

1978-01-01

Catalytic systems consisting of Ni(PPh/sub 3/) or Ni(P(OEt)/sub 3/)/sub 4/, Lewis acids BF/sub 3/ or BF/sub 3/.OEt/sub 2/, and Broensted acids HF, H/sub 2/SO/sub 4/, EtOH, or H/sub 2/O (even in trace amounts), but not HCl, showed high catalytic activities (i.e., hexene yields of 1200-1600 g-mole per g-atom Ni per hour) with 67-84% methylpentenes. In the absence of Lewis acids, the catalytic activity decreased and linear hexenes were favored (up to 65%). The activity of the systems containing no Broensted additives (i.e., when the solvents were thoroughly dehydrated and evacuated) was very low (50 g-mole hexene per g-atom Ni per hour). Proton, phosphorus-31, and fluorine-19 NMR studies identified nickel hydride complexes (NHC) with PF(OEt)/sub 2/ ligands in the Ni(P(OC/sub 2/H/sub 5/)/sub 3/)/sub 4// BF/sub 3/(OC/sub 2/H/sub 5/)/sub 2//C/sub 2/H/sub 5/OH system, and a UV spectroscopic study showed that the catalytic activity was proportional to the concentration of NHC in the system. Tables, spectra, and 16 references.

Review of literature on catalytic recombination of hydrogen--oxygen

International Nuclear Information System (INIS)

Homsy, R.V.; Glatron, C.A.

1968-01-01

The results are reported of a literature search for information concerning the heterogeneous, gas phase, catalytic hydrogen-oxygen recombination. Laboratory scale experiments to test the performance of specific metal oxide catalysts under conditions simulating the atmosphere within a nuclear reactor containment vessel following a loss-of-coolant blowdown accident are suggested

A distributed scheduling algorithm for heterogeneous real-time systems

Science.gov (United States)

Zeineldine, Osman; El-Toweissy, Mohamed; Mukkamala, Ravi

1991-01-01

Much of the previous work on load balancing and scheduling in distributed environments was concerned with homogeneous systems and homogeneous loads. Several of the results indicated that random policies are as effective as other more complex load allocation policies. The effects of heterogeneity on scheduling algorithms for hard real time systems is examined. A distributed scheduler specifically to handle heterogeneities in both nodes and node traffic is proposed. The performance of the algorithm is measured in terms of the percentage of jobs discarded. While a random task allocation is very sensitive to heterogeneities, the algorithm is shown to be robust to such non-uniformities in system components and load.

Laser-Induced Fluorescence Detection in High-Throughput Screening of Heterogeneous Catalysts and Single Cells Analysis

Energy Technology Data Exchange (ETDEWEB)

Su, Hui [Iowa State Univ., Ames, IA (United States)

2001-01-01

Laser-induced fluorescence detection is one of the most sensitive detection techniques and it has found enormous applications in various areas. The purpose of this research was to develop detection approaches based on laser-induced fluorescence detection in two different areas, heterogeneous catalysts screening and single cell study. First, the author introduced laser-induced imaging (LIFI) as a high-throughput screening technique for heterogeneous catalysts to explore the use of this high-throughput screening technique in discovery and study of various heterogeneous catalyst systems. This scheme is based on the fact that the creation or the destruction of chemical bonds alters the fluorescence properties of suitably designed molecules. By irradiating the region immediately above the catalytic surface with a laser, the fluorescence intensity of a selected product or reactant can be imaged by a charge-coupled device (CCD) camera to follow the catalytic activity as a function of time and space. By screening the catalytic activity of vanadium pentoxide catalysts in oxidation of naphthalene, they demonstrated LIFI has good detection performance and the spatial and temporal resolution needed for high-throughput screening of heterogeneous catalysts. The sample packing density can reach up to 250 x 250 subunits/cm² for 40-μm wells. This experimental set-up also can screen solid catalysts via near infrared thermography detection. In the second part of this dissertation, the author used laser-induced native fluorescence coupled with capillary electrophoresis (LINF-CE) and microscope imaging to study the single cell degranulation. On the basis of good temporal correlation with events observed through an optical microscope, they have identified individual peaks in the fluorescence electropherograms as serotonin released from the granular core on contact with the surrounding fluid.

Soluble organic nanotubes for catalytic systems

Science.gov (United States)

Xiong, Linfeng; Yang, Kunran; Zhang, Hui; Liao, Xiaojuan; Huang, Kun

2016-03-01

In this paper, we report a novel method for constructing a soluble organic nanotube supported catalyst system based on single-molecule templating of core-shell bottlebrush copolymers. Various organic or metal catalysts, such as sodium prop-2-yne-1-sulfonate (SPS), 1-(2-(prop-2-yn-1-yloxy)ethyl)-1H-imidazole (PEI) and Pd(OAc)2 were anchored onto the tube walls to functionalize the organic nanotubes via copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. Depending on the ‘confined effect’ and the accessible cavity microenvironments of tubular structures, the organic nanotube catalysts showed high catalytic efficiency and site-isolation features. We believe that the soluble organic nanotubes will be very useful for the development of high performance catalyst systems due to their high stability of support, facile functionalization and attractive textural properties.

Soluble organic nanotubes for catalytic systems.

Science.gov (United States)

Xiong, Linfeng; Yang, Kunran; Zhang, Hui; Liao, Xiaojuan; Huang, Kun

2016-03-18

In this paper, we report a novel method for constructing a soluble organic nanotube supported catalyst system based on single-molecule templating of core–shell bottlebrush copolymers. Various organic or metal catalysts, such as sodium prop-2-yne-1-sulfonate (SPS), 1-(2-(prop-2-yn-1-yloxy)ethyl)-1H-imidazole (PEI) and Pd(OAc)2 were anchored onto the tube walls to functionalize the organic nanotubes via copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. Depending on the 'confined effect' and the accessible cavity microenvironments of tubular structures, the organic nanotube catalysts showed high catalytic efficiency and site-isolation features. We believe that the soluble organic nanotubes will be very useful for the development of high performance catalyst systems due to their high stability of support, facile functionalization and attractive textural properties.

Heterogeneous Single-Atom Catalyst for Visible-Light-Driven High-Turnover CO2 Reduction: The Role of Electron Transfer.

Science.gov (United States)

Gao, Chao; Chen, Shuangming; Wang, Ying; Wang, Jiawen; Zheng, Xusheng; Zhu, Junfa; Song, Li; Zhang, Wenkai; Xiong, Yujie

2018-03-01

Visible-light-driven conversion of CO 2 into chemical fuels is an intriguing approach to address the energy and environmental challenges. In principle, light harvesting and catalytic reactions can be both optimized by combining the merits of homogeneous and heterogeneous photocatalysts; however, the efficiency of charge transfer between light absorbers and catalytic sites is often too low to limit the overall photocatalytic performance. In this communication, it is reported that the single-atom Co sites coordinated on the partially oxidized graphene nanosheets can serve as a highly active and durable heterogeneous catalyst for CO 2 conversion, wherein the graphene bridges homogeneous light absorbers with single-atom catalytic sites for the efficient transfer of photoexcited electrons. As a result, the turnover number for CO production reaches a high value of 678 with an unprecedented turnover frequency of 3.77 min -1 , superior to those obtained with the state-of-the-art heterogeneous photocatalysts. This work provides fresh insights into the design of catalytic sites toward photocatalytic CO 2 conversion from the angle of single-atom catalysis and highlights the role of charge kinetics in bridging the gap between heterogeneous and homogeneous photocatalysts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heterogeneous catalysis at nanoscale for energy applications

CERN Document Server

Tao, Franklin (Feng); Kamat, Prashant V

2015-01-01

This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems.  It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical si

Catalytic methods using molecular oxygen for treatment of PMMS and ECLSS waste streams, volume 2

Science.gov (United States)

Akse, James R.

1992-01-01

Catalytic oxidation has proven to be an effective addition to the baseline sorption, ion exchange water reclamation technology which will be used on Space Station Freedom (SSF). Low molecular weight, polar organics such as alcohols, aldehydes, ketones, amides, and thiocarbamides which are poorly removed by the baseline multifiltration (MF) technology can be oxidized to carbon dioxide at low temperature (121 C). The catalytic oxidation process by itself can reduce the Total Organic Carbon (TOC) to below 500 ppb for solutions designed to model these waste waters. Individual challenges by selected contaminants have shown only moderate selectivity towards particular organic species. The combined technology is applicable to the more complex waste water generated in the Process Materials Management System (PMMS) and Environmental Control and Life Support System (ECLSS) aboard SSF. During the phase 3 Core Module Integrated Facility (CMIF) water recovery tests at NASA MSFC, real hygiene waste water and humidity condensate were processed to meet potable specifications by the combined technology. A kinetic study of catalytic oxidation demonstrates that the Langmuir-Hinshelwood rate equation for heterogeneous catalysts accurately represent the kinetic behavior. From this relationship, activation energy and rate constants for acetone were determined.

Analysis and Synthesis of Communication-Intensive Heterogeneous Real-Time Systems

DEFF Research Database (Denmark)

Pop, Paul

2003-01-01

Embedded computer systems are now everywhere: from alarm clocks to PDAs, from mobile phones to cars, almost all the devices we use are controlled by embedded computer systems. An important class of embedded computer systems is that of real-time systems, which have to fulfill strict timing...... requirements. As realtime systems become more complex, they are often implemented using distributed heterogeneous architectures. The main objective of this thesis is to develop analysis and synthesis methods for communication-intensive heterogeneous hard real-time systems. The systems are heterogeneous...... is the synthesis of the communication infrastructure, which has a significant impact on the overall system performance and cost. To reduce the time-to-market of products, the design of real-time systems seldom starts from scratch. Typically, designers start from an already existing system, running certain...

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.

Catalytic properties of pure and K+-doped Cu O/Mg O system towards 2-propanol conversion

International Nuclear Information System (INIS)

El-Molla, S. A.; Amin, N. H.; Hammed, M. N.; Sultan, S. N.; El-Shobaky, G. A.

2013-01-01

Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K + species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N 2 at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu 2 O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K + -doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K + -doping increased the catalytic activity and catalytic durability. (Author)

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

Triangular Diagrams Teach Steady and Dynamic Behaviour of Catalytic Reactions.

Science.gov (United States)

Klusacek, K.; And Others

1989-01-01

Illustrates how triangular diagrams can aid in presenting some of the rather complex transient interactions that occur among gas and surface species during heterogeneous catalytic reactions. The basic equations and numerical examples are described. Classroom use of the triangular diagram is discussed. Several diagrams and graphs are provided. (YP)

High-Temperature Compatible Nickel Silicide Thermometer And Heater For Catalytic Chemical Microreactors

DEFF Research Database (Denmark)

Jensen, Søren; Quaade, U.J.; Hansen, Ole

2005-01-01

Integration of heaters and thermometers is important for agile and accurate control and measurement of the thermal reaction conditions in microfabricated chemical reactors (microreactors). This paper describes development and operation of nickel silicide heaters and temperature sensors...... for temperatures exceeding 700 °C. The heaters and thermometers are integrated with chemical microreactors for heterogeneous catalytic conversion of gasses, and thermally activated catalytic conversion of CO to CO2 in the reactors is demonstrated. The heaters and thermometers are shown to be compatible...

Integrating CLIPS applications into heterogeneous distributed systems

Science.gov (United States)

Adler, Richard M.

1991-01-01

SOCIAL is an advanced, object-oriented development tool for integrating intelligent and conventional applications across heterogeneous hardware and software platforms. SOCIAL defines a family of 'wrapper' objects called agents, which incorporate predefined capabilities for distributed communication and control. Developers embed applications within agents and establish interactions between distributed agents via non-intrusive message-based interfaces. This paper describes a predefined SOCIAL agent that is specialized for integrating C Language Integrated Production System (CLIPS)-based applications. The agent's high-level Application Programming Interface supports bidirectional flow of data, knowledge, and commands to other agents, enabling CLIPS applications to initiate interactions autonomously, and respond to requests and results from heterogeneous remote systems. The design and operation of CLIPS agents are illustrated with two distributed applications that integrate CLIPS-based expert systems with other intelligent systems for isolating and mapping problems in the Space Shuttle Launch Processing System at the NASA Kennedy Space Center.

First principles study of propene polymerization in Ziegler-Natta heterogeneous catalysis

Energy Technology Data Exchange (ETDEWEB)

Boero, M.; Parrinello, M.; Hueffer, S.; Weiss, H.

2000-01-26

In this work the authors address the problem of isotacticity in a realistic heterogeneous Ziegler-Natta system by means of ab initio molecular dynamics. A previously identified 5-fold catalytic center was selected and examined for its ability to select the appropriate olefin enantioface in the chain growth process. The first steps in the propene polymerization process were studied to determine the energetics of the initial complexation phase for the different stereochemical orientations of the incoming propene. Then the authors analyze the subsequent insertions which represent the crucial issue for the formation of a stereospecific polymer chain, and find that the 5-fold catalytic center possesses a huge degree of stereoselectivity. The role of the agostic interaction was examined which can switch from {alpha} to {beta} and allow, even in the presence of a substrate, process that can lead to chain termination.

Selective catalytic oxidation of hydrocarbons as a challenge to the chemical engineer

Energy Technology Data Exchange (ETDEWEB)

Emig, G [Erlangen-Nuernberg Univ., Erlangen (Germany, F.R.). Lehrstuhl fuer Technische Chemie 1

1978-08-01

Selective catalytic oxidation is beginning to play a more and more significant role in the process of converting the most important chemical raw materials, crude oil and natural gas, into intermediate and end products. In many cases, this technique makes it possible to replace old processes consisting of many steps by more economical single-step reactions. The typical example of oxidation or ammoxidation of propylene demonstrates the problems which must be solved by the chemical engineer during the development of a heterogeneous catalytic oxidation process. The particular importance of a systematic development of a catalyst is emphasized. General aspects relating to the design of new catalytic processes, or the improvement of existing ones are also discussed.

Low concentration volatile organic pollutants removal in combined adsorber-desorber-catalytic reactor system

Directory of Open Access Journals (Sweden)

Arsenijević Zorana

2008-01-01

Full Text Available The removal of volatile organic compounds (VOCs from numerous emission sources is of crucial importance due to more rigorous demands on air quality. Different technologies can be used to treat the VOCs from effluent gases: absorption, physical adsorption, open flame combustion, thermal and catalytic incineration. Their appropriateness for the specific process depends on several factors such as efficiency, energy consumption, secondary pollution, capital investments etc. The distinctive features of the catalytic combustion are high efficiency and selectivity toward be­nign products, low energy consumption and absence of secondary polluti­on. The supported noble catalysts are widely used for catalytic incineration due to their low ignition temperatures and high thermal and chemical stability. In our combined system adsorption and desorption are applied in the spouted bed with draft tube (SBDT unit. The annular zone, loaded with sorbent, was divided in adsorption and desorption section. Draft tube enabled sorbent recirculation between sections. Combustion of desorbed gases to CO2 and water vapor are realized in additive catalytic reactor. This integrated device provided low concentrations VOCs removal with reduced energy consumption. Experiments were conducted on a pilot unit of 220 m3/h nominal capacity. The sorbent was activated carbon, type K81/B - Trayal Corporation, Krusevac. A sphere shaped commercial Pt/Al2O3 catalyst with "egg-shell" macro-distribution was used for the investigation of xylene deep oxidation. Within this paper the investigations of removal of xylene vapors, a typical pollutant in production of liquid pesticides, in combined adsorber/desorber/catalytic reactor system is presented.

Synthesis and characterization of supported heteropolymolybdate nanoparticles between silicate layers of Bentonite with enhanced catalytic activity for epoxidation of alkenes

International Nuclear Information System (INIS)

Salavati, Hossein; Rasouli, Nahid

2011-01-01

Highlights: → The PVMo and nanocomposite catalyst (PVMo/Bentonite) as catalyst for epoxidation of alkenes. → The composite catalyst showed higher catalytic activity than parent heteropolymolybdate (PVMo). →The use of ultrasonic irradiation increased the conversions and reduced the reaction times. → The H 2 O 2 is a green and eco-friendly oxidant in this catalytic system. -- Abstract: A new heterogeneous catalyst (PVMo/Bentonite) consisting of vanadium substituted heteropolymolybdate with Keggin-type structure Na 5 [PV 2 Mo 10 O 40 ].14H 2 O (PVMo) supported between silicate layers of bentonite has been synthesized by impregnation method and characterized using X-ray diffraction, Fourier-transformed infrared spectroscopy, scanning electron microscopy, UV-vis diffuse reflectance spectroscopy, transmission electron microscopy and elemental analysis. X-ray diffraction and scanning electron microscopy analysis indicated that PVMo was finely dispersed into layers of bentonite as support. The PVMo/Bentonite used as an efficient heterogeneous catalyst for epoxidation of alkenes. Various cyclic and linear alkenes were oxidized into the corresponding epoxides in high yields and selectivity with 30% aqueous H 2 O 2 . The catalyst was reused several times, without observable loss of activity and selectivity. The obtained results showed that the catalytic activity of the PVMo/Bentonite was higher than that of pure heteropolyanion (PVMo).

SH2-catalytic domain linker heterogeneity influences allosteric coupling across the SFK family.

Science.gov (United States)

Register, A C; Leonard, Stephen E; Maly, Dustin J

2014-11-11

Src-family kinases (SFKs) make up a family of nine homologous multidomain tyrosine kinases whose misregulation is responsible for human disease (cancer, diabetes, inflammation, etc.). Despite overall sequence homology and identical domain architecture, differences in SH3 and SH2 regulatory domain accessibility and ability to allosterically autoinhibit the ATP-binding site have been observed for the prototypical SFKs Src and Hck. Biochemical and structural studies indicate that the SH2-catalytic domain (SH2-CD) linker, the intramolecular binding epitope for SFK SH3 domains, is responsible for allosterically coupling SH3 domain engagement to autoinhibition of the ATP-binding site through the conformation of the αC helix. As a relatively unconserved region between SFK family members, SH2-CD linker sequence variability across the SFK family is likely a source of nonredundant cellular functions between individual SFKs via its effect on the availability of SH3 and SH2 domains for intermolecular interactions and post-translational modification. Using a combination of SFKs engineered with enhanced or weakened regulatory domain intramolecular interactions and conformation-selective inhibitors that report αC helix conformation, this study explores how SH2-CD sequence heterogeneity affects allosteric coupling across the SFK family by examining Lyn, Fyn1, and Fyn2. Analyses of Fyn1 and Fyn2, isoforms that are identical but for a 50-residue sequence spanning the SH2-CD linker, demonstrate that SH2-CD linker sequence differences can have profound effects on allosteric coupling between otherwise identical kinases. Most notably, a dampened allosteric connection between the SH3 domain and αC helix leads to greater autoinhibitory phosphorylation by Csk, illustrating the complex effects of SH2-CD linker sequence on cellular function.

Heterogeneous catalytic process for alcohol fuels from syngas

Energy Technology Data Exchange (ETDEWEB)

Minahan, D.M.; Nagaki, D.A.

1995-12-31

This project is focused on the discovery and evaluation of novel heterogeneous catalyst for the production of oxygenated fuel enhancers from synthesis gas. Catalysts have been studied and optimized for the production of methanol and isobutanol mixtures which may be used for the downstream synthesis of MTBE or related oxygenates. Higher alcohols synthesis (HAS) from syngas was studied; the alcohols that are produced in this process may be used for the downstream synthesis of MTBE or related oxygenates. This work has resulted in the discovery of a catalyst system that is highly selective for isobutanol compared with the prior art. The catalysts operate at high temperature (400{degrees}C), and consist of a spinel oxide support (general formula AB{sub 2}O{sub 4}, where A=M{sup 2+} and B = M{sup 3+}), promoted with various other elements. These catalysts operate by what is believed to be an aldol condensation mechanism, giving a product mix of mainly methanol and isobutanol. In this study, the effect of product feed/recycle (methanol, ethanol. n-propanol, isopropanol, carbon dioxide and water) on the performance of 10-DAN-55 (spinel oxide based catalyst) at 400{degrees}C, 1000 psi, GHSV = 12,000 and syngas (H{sub 2}/CO) ratio = 1:2 (alcohol addition) and 1:1 (carbon dioxide and water addition) was studied. The effect of operation at high temperatures and pressures on the performance of an improved catalyst formulation was also examined.

In-situ high-pressure measurements and detailed numerical predictions of the catalytic reactivity of methane over platinum

Energy Technology Data Exchange (ETDEWEB)

Reinke, M.; Mantzaras, I.; Schaeren, R.; Bombach, R.; Inauen, A.; Schenker, S.

2003-03-01

The catalytic reactivity of methane over platinum at pressures of up to 14 bar was evaluated with in-situ Raman measurements and detailed numerical predictions from two different heterogeneous chemical reaction schemes. The best agreement to the measurements was achieved with Deutschmann's reaction scheme that yielded the correct trend for the pressure dependence of the catalytic reactivity, although in absolute terms the reactivity was overpredicted. The catalytic reactivity was consistently underpredicted at all pressures with the reaction scheme of Vlachos. (author)

Systemic risk and heterogeneous leverage in banking networks

Science.gov (United States)

Kuzubaş, Tolga Umut; Saltoğlu, Burak; Sever, Can

2016-11-01

This study probes systemic risk implications of leverage heterogeneity in banking networks. We show that the presence of heterogeneous leverages drastically changes the systemic effects of defaults and the nature of the contagion in interbank markets. Using financial leverage data from the US banking system, through simulations, we analyze the systemic significance of different types of borrowers, the evolution of the network, the consequences of interbank market size and the impact of market segmentation. Our study is related to the recent Basel III regulations on systemic risk and the treatment of the Global Systemically Important Banks (GSIBs). We also assess the extent to which the recent capital surcharges on GSIBs may curb financial fragility. We show the effectiveness of surcharge policy for the most-levered banks vis-a-vis uniform capital injection.

Synchronous message-based communication for distributed heterogeneous systems

International Nuclear Information System (INIS)

Wilkinson, N.; Dohan, D.

1992-01-01

The use of a synchronous, message-based real-time operating system (Unison) as the basis of transparent interprocess and inter-processor communication over VME-bus is described. The implementation of a synchronous, message-based protocol for network communication between heterogeneous systems is discussed. In particular, the design and implementation of a message-based session layer over a virtual circuit transport layer protocol using UDP/IP is described. Inter-process communication is achieved via a message-based semantic which is portable by virtue of its ease of implementation in other operating system environments. Protocol performance for network communication among heterogeneous architecture is presented, including VMS, Unix, Mach and Unison. (author)

Catalytic properties of pure and K{sup +}-doped Cu O/Mg O system towards 2-propanol conversion

Energy Technology Data Exchange (ETDEWEB)

El-Molla, S. A.; Amin, N. H.; Hammed, M. N.; Sultan, S. N. [Ain Shams University, Faculty of Education, Chemistry Department, Roxy, Heliopolis, Cairo 11757 (Egypt); El-Shobaky, G. A., E-mail: saharelmolla@yahoo.com [National Research Center, Dokki, Cairo (Egypt)

2013-08-01

Cu O/Mg O system having different compositions was prepared by impregnation method followed by calcination at 400-900 C. The effect of Cu O content, calcination temperature and doping with small amounts of K{sup +} species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using X-ray diffraction, adsorption of N{sub 2} at - 196 C, and conversion of isopropyl alcohol at 150-400 C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 Cu O/Mg O calcined at 400 C consisted of nano sized Mg O and Cu O as major phases together with Cu{sub 2}O as minor phase. The Bet-surface areas of different absorbents are decreased by increasing Cu O content, calcination temperature and K{sup +}-doping. Mg O-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity >80%. The catalytic activity increased by increasing Cu O content and decreased by increasing the calcination temperature within 400-900 C. K{sup +}-doping increased the catalytic activity and catalytic durability. (Author)

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.

BUFFER CAPACITY IN HETEROGENEOUS MULTICOMPONENT SYSTEMS. REVIEW

Directory of Open Access Journals (Sweden)

Oxana Spinu

2015-12-01

Full Text Available The quantitative basis of the theory of buffer properties for two-phase acid-base buffer systems and for multicomponent heterogeneous systems has been derived. The analytical equations with respect to all components for diverse multicomponent systems were deduced. It has been established, that the buffer capacities of components are mutually proportional.

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.

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.

NERON-Computing system for PHWR reactor cells and heterogeneous parameter calculations

International Nuclear Information System (INIS)

Cristian, I.; Cirstoiu, B.; Slavnicu, S.D.

1976-04-01

A system of codes for PHWR type reactors is presented. The system includes the cell code NERO and a code PARETE for monopolar and dipolar heterogeneous calculations. A general theory of dipolar flux is necessary for a more accurate evaluation of void coefficient and diffusion moderator coefficient is given. The determination of monopolar and dipolar heterogeneous parameters is very useful for heterogeneous methods developped especially for HWR reactors during the last years. (author)

Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

DEFF Research Database (Denmark)

Musko, Nikolai E.

In this PhD-study the different areas of chemical engineering, heterogeneous catalysis, supercritical fluids, and phase equilibrium thermodynamics have been brought together for selected reactions. To exploit the beneficial properties of supercritical fluids in heterogeneous catalysis, experimental...... studies of catalytic chemical reactions in dense and supercritical carbon dioxide have been complemented by the theoretical calculations of phase equilibria using advanced thermodynamic models. In the recent years, the use of compressed carbon dioxide as innovative, non-toxic and non-flammable, cheap......, and widely available reaction medium for many practical and industrial applications has drastically increased. Particularly attractive are heterogeneously catalysed chemical reactions. The beneficial use of CO2 is attributed to its unique properties at dense and supercritical states (at temperatures...

Heterogeneous Metal Catalysts for Oxidation Reactions

Directory of Open Access Journals (Sweden)

Md. Eaqub Ali

2014-01-01

Full Text Available Oxidation reactions may be considered as the heart of chemical synthesis. However, the indiscriminate uses of harsh and corrosive chemicals in this endeavor are threating to the ecosystems, public health, and terrestrial, aquatic, and aerial flora and fauna. Heterogeneous catalysts with various supports are brought to the spotlight because of their excellent capabilities to accelerate the rate of chemical reactions with low cost. They also minimize the use of chemicals in industries and thus are friendly and green to the environment. However, heterogeneous oxidation catalysis are not comprehensively presented in literature. In this short review, we clearly depicted the current state of catalytic oxidation reactions in chemical industries with specific emphasis on heterogeneous catalysts. We outlined here both the synthesis and applications of important oxidation catalysts. We believe it would serve as a reference guide for the selection of oxidation catalysts for both industries and academics.

Novel Zinc-Catalytic Systems for Ring-Opening Polymerization of ε-Caprolactone

Directory of Open Access Journals (Sweden)

Karolina Żółtowska

2015-02-01

Full Text Available Polycaprolactone (PCL is a biodegradable synthetic polymer that is currently widely used in many pharmaceutical and medical applications. In this paper we describe the coordination ring-opening polymerization of ε-caprolactone in the presence of two newly synthesized catalytic systems: diethylzinc/gallic acid and diethylzinc/propyl gallate. The chemical structures of the obtained PCLs were characterized by 1H- or 13C-NMR, FTIR spectroscopy and MALDI TOF mass spectrometry. The average molecular weight of the resulting polyesters was analysed by gel permeation chromatography and a viscosity method. The effects of temperature, reaction time and type of catalytic system on the polymerization process were examined. Linear PCLs with defined average molecular weight were successfully obtained. Importantly, in some cases the presence of macrocyclic products was not observed during the polymerization process. This study provides an effective method for the synthesis of biodegradable polyesters for medical and pharmaceutical applications due to the fact that gallic acid/propyl gallate are commonly used in the pharmaceutical industry.

Dynamical Systems Approach to Endothelial Heterogeneity

Science.gov (United States)

Regan, Erzsébet Ravasz; Aird, William C.

2012-01-01

Rationale Objective Here we reexamine our current understanding of the molecular basis of endothelial heterogeneity. We introduce multistability as a new explanatory framework in vascular biology. Methods We draw on the field of non-linear dynamics to propose a dynamical systems framework for modeling multistability and its derivative properties, including robustness, memory, and plasticity. Conclusions Our perspective allows for both a conceptual and quantitative description of system-level features of endothelial regulation. PMID:22723222

Iron Phthalocyanine as New Efficient Catalyst for Catalytic Transfer Hydrogenation of Simple Aldehydes and Ketones

Czech Academy of Sciences Publication Activity Database

Bata, P.; Notheisz, F.; Klusoň, Petr; Zsigmond, A.

2015-01-01

Roč. 29, JAN 2015 (2015), s. 45-49 ISSN 0268-2605 Institutional support: RVO:67985858 Keywords : heterogenized complexes * catalytic transfer hydrogenation * reusable catalyst Subject RIV: CC - Organic Chemistry Impact factor: 2.452, year: 2015

Catalytic Hydrotreatment of Fast Pyrolysis Oil: Model Studies on Reaction Pathways for the Carbohydrate Fraction

OpenAIRE

Wildschut, J.; Arentz, J.; Rasrendra, C. B.; Venderbosch, R. H.; Heeres, H. J.

2009-01-01

Fast pyrolysis oil can be upgraded by a catalytic hydrotreatment (250-400 degrees C, 100-200 bar) using heterogeneous catalysts such as Ru/C to hydrocarbon-like products that can serve as liquid transportation fuels. Insight into the complex reaction pathways of the various component fractions during hydrotreatment is desirable to reduce the formation of by-products such as char and gaseous components. This paper deals with the catalytic hydrotreatment of representative model components for t...

A new experimental setup for high-pressure catalytic activity measurements on surface deposited mass-selected Pt clusters

International Nuclear Information System (INIS)

Watanabe, Yoshihide; Isomura, Noritake

2009-01-01

A new experimental setup to study catalytic and electronic properties of size-selected clusters on metal oxide substrates from the viewpoint of cluster-support interaction and to formulate a method for the development of heterogeneous catalysts such as automotive exhaust catalysts has been developed. The apparatus consists of a size-selected cluster source, a photoemission spectrometer, a scanning tunneling microscope (STM), and a high-pressure reaction cell. The high-pressure reaction cell measurements provided information on catalytic properties in conditions close to practical use. The authors investigated size-selected platinum clusters deposited on a TiO 2 (110) surface using a reaction cell and STM. Catalytic activity measurements showed that the catalytic activities have a cluster-size dependency.

Scheduling Driven Partitioning of Heterogeneous Embedded Systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

1998-01-01

In this paper we present an algorithm for system level hardware/software partitioning of heterogeneous embedded systems. The system is represented as an abstract graph which captures both data-flow and the flow of control. Given an architecture consisting of several processors, ASICs and shared...... busses, our partitioning algorithm finds the partitioning with the smallest hardware cost and is able to predict and guarantee the performance of the system in terms of worst case delay....

Liquid phase oxidation via heterogeneous catalysis organic synthesis and industrial applications

CERN Document Server

Clerici, Mario G

2013-01-01

Sets the stage for environmentally friendly industrial organic syntheses From basic principles to new and emerging industrial applications, this book offers comprehensive coverage of heterogeneous liquid-phase selective oxidation catalysis. It fully examines the synthesis, characterization, and application of catalytic materials for environmentally friendly organic syntheses. Readers will find coverage of all the important classes of catalysts, with an emphasis on their stability and reusability. Liquid Phase Oxidation via Heterogeneous Catalysis features contributions from an internation

Properties and application of noble metal catalysts for heterogeneous catalytic hydrogenations

Energy Technology Data Exchange (ETDEWEB)

Horn, G; Frohning, C D; Cornils, B [Ruhrchemie A.G., Oberhausen (Germany, F.R.)

1976-07-01

The special properties of the six platinum group elements - ruthenium, rhodium, palladium, osmium, iridium, platinum - make them useful as active metals for catalytic reactions. Especially valuable is their property of favouring a single reaction even when the possibility of a number of parallel reactions exists under certain reaction conditions. This selectivity of the noble metal catalyst may be directed or enhanced through appropriate choise of the metal, the reaction conditions, the duration of the reaction, the amount of hydrogen etc. Even the physical state of the catalyst - supported or unsupported - is of influence when using noble metal catalysts as described in this report.

IDENTIFIABILITY VERSUS HETEROGENEITY IN GROUNDWATER MODELING SYSTEMS

Directory of Open Access Journals (Sweden)

A M BENALI

2003-06-01

Full Text Available Review of history matching of reservoirs parameters in groundwater flow raises the problem of identifiability of aquifer systems. Lack of identifiability means that there exists parameters to which the heads are insensitive. From the guidelines of the study of the homogeneous case, we inspect the identifiability of the distributed transmissivity field of heterogeneous groundwater aquifers. These are derived from multiple realizations of a random function Y = log T  whose probability distribution function is normal. We follow the identifiability of the autocorrelated block transmissivities through the measure of the sensitivity of the local derivatives DTh = (∂hi  ∕ ∂Tj computed for each sample of a population N (0; σY, αY. Results obtained from an analysis of Monte Carlo type suggest that the more a system is heterogeneous, the less it is identifiable.

Heterogeneity induces spatiotemporal oscillations in reaction-diffusion systems

Science.gov (United States)

Krause, Andrew L.; Klika, Václav; Woolley, Thomas E.; Gaffney, Eamonn A.

2018-05-01

We report on an instability arising in activator-inhibitor reaction-diffusion (RD) systems with a simple spatial heterogeneity. This instability gives rise to periodic creation, translation, and destruction of spike solutions that are commonly formed due to Turing instabilities. While this behavior is oscillatory in nature, it occurs purely within the Turing space such that no region of the domain would give rise to a Hopf bifurcation for the homogeneous equilibrium. We use the shadow limit of the Gierer-Meinhardt system to show that the speed of spike movement can be predicted from well-known asymptotic theory, but that this theory is unable to explain the emergence of these spatiotemporal oscillations. Instead, we numerically explore this system and show that the oscillatory behavior is caused by the destabilization of a steady spike pattern due to the creation of a new spike arising from endogeneous activator production. We demonstrate that on the edge of this instability, the period of the oscillations goes to infinity, although it does not fit the profile of any well-known bifurcation of a limit cycle. We show that nearby stationary states are either Turing unstable or undergo saddle-node bifurcations near the onset of the oscillatory instability, suggesting that the periodic motion does not emerge from a local equilibrium. We demonstrate the robustness of this spatiotemporal oscillation by exploring small localized heterogeneity and showing that this behavior also occurs in the Schnakenberg RD model. Our results suggest that this phenomenon is ubiquitous in spatially heterogeneous RD systems, but that current tools, such as stability of spike solutions and shadow-limit asymptotics, do not elucidate understanding. This opens several avenues for further mathematical analysis and highlights difficulties in explaining how robust patterning emerges from Turing's mechanism in the presence of even small spatial heterogeneity.

Value-added Chemicals from Biomass by Heterogeneous Catalysis

DEFF Research Database (Denmark)

Voss, Bodil

feedstock, having retained one C-C bond originating from the biomass precursor, the aspects of utilising heterogeneous catalysis for its conversion to value added chemicals is investigated. Through a simple analysis of known, but not industrialised catalytic routes, the direct conversion of ethanol....... The results of the thesis, taking one example of biomass conversion, show that the utilisation of biomass in the production of chemicals by heterogeneous catalysis is promising from a technical point of view. But risks of market price excursions dominated by fossil based chemicals further set a criterion...... been implemented. The subject on chemical production has received less attention. This thesis describes and evaluates the quest for an alternative conversion route, based on a biomass feedstock and employing a heterogeneous catalyst capable of converting the feedstock, to a value-added chemical...

Dynamical Response of Catalytic Systems in a CS Corrected Environmental Transmission Electron Microscope

DEFF Research Database (Denmark)

Hansen, Thomas Willum; Dunin-Borkowski, Rafal E.; Boothroyd, Chris

2010-01-01

. In a catalytic reactor, the particles tend to sinter under reaction conditions resulting in the formation of larger particles and a loss of catalytic activity. Several models of sintering in different systems have been put forward [4,5]. However, most investigations have been post mortem studies, revealing only...... energies and energy barriers for sintering processes can be studied. The surface structures of catalytic materials are highly dependent on the surrounding atmosphere. The combined capabilities of ETEM and image CS correction provide unique possibilities to study this relationship. However, in order...... as function of Ar pressure in the pole piece gap. References [1] I. Chorkendorff and J.W. Niemantsverdriet, Concepts of Modern Catalysis and Kinetics, Wiley-VCH, Weinheim, 2003. [2] www.nacatsoc.org [3] A.K. Datye, J. Catal. 216 (2003) 144. [4] J.T. Richardson and J.G. Crump, J. Catal. 56 (1979) 417. [5] C. H...

A Modular Environment for Geophysical Inversion and Run-time Autotuning using Heterogeneous Computing Systems

Science.gov (United States)

Myre, Joseph M.

Heterogeneous computing systems have recently come to the forefront of the High-Performance Computing (HPC) community's interest. HPC computer systems that incorporate special purpose accelerators, such as Graphics Processing Units (GPUs), are said to be heterogeneous. Large scale heterogeneous computing systems have consistently ranked highly on the Top500 list since the beginning of the heterogeneous computing trend. By using heterogeneous computing systems that consist of both general purpose processors and special- purpose accelerators, the speed and problem size of many simulations could be dramatically increased. Ultimately this results in enhanced simulation capabilities that allows, in some cases for the first time, the execution of parameter space and uncertainty analyses, model optimizations, and other inverse modeling techniques that are critical for scientific discovery and engineering analysis. However, simplifying the usage and optimization of codes for heterogeneous computing systems remains a challenge. This is particularly true for scientists and engineers for whom understanding HPC architectures and undertaking performance analysis may not be primary research objectives. To enable scientists and engineers to remain focused on their primary research objectives, a modular environment for geophysical inversion and run-time autotuning on heterogeneous computing systems is presented. This environment is composed of three major components: 1) CUSH---a framework for reducing the complexity of programming heterogeneous computer systems, 2) geophysical inversion routines which can be used to characterize physical systems, and 3) run-time autotuning routines designed to determine configurations of heterogeneous computing systems in an attempt to maximize the performance of scientific and engineering codes. Using three case studies, a lattice-Boltzmann method, a non-negative least squares inversion, and a finite-difference fluid flow method, it is shown that

Heterogeneous base-catalyzed methanolysis of vegetable oils: State of art

Directory of Open Access Journals (Sweden)

Miladinović Marija R.

2010-01-01

Full Text Available Today, homogeneous base-catalyzed methanolysis is most frequently used method for industrial biodiesel production. High requirements for the quality of feedstocks and the problems related to a huge amount of wastewaters have led to the development of novel biodiesel production technologies. Among them, the most important is heterogeneous base-catalyzed methanolysis, which has been intensively investigated in the last decade in order to develop new catalytic systems, to optimize the reaction conditions and to recycle catalysts. These studies are a base for developing continuous biodiesel production on industrial scale in near future. The present work summarizes up-to-date studies on biodiesel production by heterogeneous base-catalyzed methanolysis. The main goals were to point out the application of different base compounds as catalysts, the methods of catalyst preparation, impregnation on carriers and recycling as well as the possibilities to improve existing base-catalyzed biodiesel production processes and to develop novel ones.

In situ and ex situ electron microscopy and X-ray diffraction characterization of the evolution of a catalytic system - from synthesis to deactivation

DEFF Research Database (Denmark)

Gardini, Diego

Heterogeneous catalysis represents a research field of undeniable importance for a multitude of technological and industrial processes. Supported catalysts are nowadays at the base of the large-scale production of most chemicals and are used for the removal of air pollutants from automotive engines...... the understanding of the structural properties and mechanisms at the origin of catalytic activity. This thesis presents the potential and uniqueness of ex situ and in situ transmission electron microscopy (TEM) and X-ray diffraction (XRD) techniques in the characterization of several supported material systems...... TEM (HRTEM) and electron energy loss spectroscopy (EELS) revealed the degradation of the supported carbide particles probably due to the formation of volatile molybdenum hydroxide species. The activity of silver nanoparticles as catalyst for soot oxidation was studied in operative conditions...

(Gold core) at (ceria shell) nanostructures for plasmon-enhanced catalytic reactions under visible light

KAUST Repository

Wang, Jianfang; Li, Benxia; Gu, Ting; Ming, Tian; Wang, Junxin; Wang, Peng; Yu, Jimmy C.

2014-01-01

Driving catalytic reactions with sunlight is an excellent example of sustainable chemistry. A prerequisite of solar-driven catalytic reactions is the development of photocatalysts with high solar-harvesting efficiencies and catalytic activities. Herein, we describe a general approach for uniformly coating ceria on monometallic and bimetallic nanocrystals through heterogeneous nucleation and growth. The method allows for control of the shape, size, and type of the metal core as well as the thickness of the ceria shell. The plasmon shifts of the Au@CeO2 nanostructures resulting from the switching between Ce(IV) and Ce(III) are observed. The selective oxidation of benzyl alcohol to benzaldehyde, one of the fundamental reactions for organic synthesis, performed under both broad-band and monochromatic light, demonstrates the visible-light-driven catalytic activity and reveals the synergistic effect on the enhanced catalysis of the Au@CeO2 nanostructures. © 2014 American Chemical Society.

(Gold core) at (ceria shell) nanostructures for plasmon-enhanced catalytic reactions under visible light

KAUST Repository

Wang, Jianfang

2014-08-26

Driving catalytic reactions with sunlight is an excellent example of sustainable chemistry. A prerequisite of solar-driven catalytic reactions is the development of photocatalysts with high solar-harvesting efficiencies and catalytic activities. Herein, we describe a general approach for uniformly coating ceria on monometallic and bimetallic nanocrystals through heterogeneous nucleation and growth. The method allows for control of the shape, size, and type of the metal core as well as the thickness of the ceria shell. The plasmon shifts of the Au@CeO2 nanostructures resulting from the switching between Ce(IV) and Ce(III) are observed. The selective oxidation of benzyl alcohol to benzaldehyde, one of the fundamental reactions for organic synthesis, performed under both broad-band and monochromatic light, demonstrates the visible-light-driven catalytic activity and reveals the synergistic effect on the enhanced catalysis of the Au@CeO2 nanostructures. © 2014 American Chemical Society.

High-throughput heterogeneous catalyst research

Science.gov (United States)

Turner, Howard W.; Volpe, Anthony F., Jr.; Weinberg, W. H.

2009-06-01

With the discovery of abundant and low cost crude oil in the early 1900's came the need to create efficient conversion processes to produce low cost fuels and basic chemicals. Enormous investment over the last century has led to the development of a set of highly efficient catalytic processes which define the modern oil refinery and which produce most of the raw materials and fuels used in modern society. Process evolution and development has led to a refining infrastructure that is both dominated and enabled by modern heterogeneous catalyst technologies. Refineries and chemical manufacturers are currently under intense pressure to improve efficiency, adapt to increasingly disadvantaged feedstocks including biomass, lower their environmental footprint, and continue to deliver their products at low cost. This pressure creates a demand for new and more robust catalyst systems and processes that can accommodate them. Traditional methods of catalyst synthesis and testing are slow and inefficient, particularly in heterogeneous systems where the structure of the active sites is typically complex and the reaction mechanism is at best ill-defined. While theoretical modeling and a growing understanding of fundamental surface science help guide the chemist in designing and synthesizing targets, even in the most well understood areas of catalysis, the parameter space that one needs to explore experimentally is vast. The result is that the chemist using traditional methods must navigate a complex and unpredictable diversity space with a limited data set to make discoveries or to optimize known systems. We describe here a mature set of synthesis and screening technologies that together form a workflow that breaks this traditional paradigm and allows for rapid and efficient heterogeneous catalyst discovery and optimization. We exemplify the power of these new technologies by describing their use in the development and commercialization of a novel catalyst for the

A Simple Method for Dynamic Scheduling in a Heterogeneous Computing System

OpenAIRE

Žumer, Viljem; Brest, Janez

2002-01-01

A simple method for the dynamic scheduling on a heterogeneous computing system is proposed in this paper. It was implemented to minimize the parallel program execution time. The proposed method decomposes the program workload into computationally homogeneous subtasks, which may be of the different size, depending on the current load of each machine in a heterogeneous computing system.

Heterogeneous catalytic oxidative dehydrogenation of ethylbenzene to styrene with carbon dioxide

Energy Technology Data Exchange (ETDEWEB)

Badstube, T.; Papp, H. [Leipzig Univ. (Germany). Inst. fuer Technische Chemie; Kustrowski, P.; Dziembaj, R. [Jagiellonian Univ., Crakow (Poland). Faculty of Chemistry

1998-12-31

Alkaline promoted active carbon supported iron catalysts are very active in the oxidative dehydrogenation of ethylbenzene to styrene in the presence of carbon dioxide. The best results were obtained at 550 C for a Li-promoted catalyst with a conversion of ethylbenzene of 75% and a selectivity towards styrene of nearly 95%. These results are better than those obtained with industrial catalysts which perform the dehydrogenation process with an excess of water. The main product of the dehydrogenation reaction with CO{sub 2} was styrene, but the following by-products were detected - benzene and toluene. The selectivity towards toluene was always higher than towards benzene. We observed also the formation of carbon monoxide and water, which were produced with a constant molar ratio of about 0.8. The weight of the catalysts increased up to 20% during the reaction due to deposition of carbon. Using a too large excess of CO{sub 2} (CO{sub 2}/EB>10) was harmful for the styrene yield. The most favorable molar ratio of CO{sub 2} to EB was 10:1. No correlation between the molar ratios of reactants and the amount of deposited coke on the surface of catalysts was observed. The highest catalytic activity showed iron loaded D-90 catalysts which were promoted with alkali metals in a molar ratio of 1:10. Iron, nickel and cobalt loaded carbonized PPAN, PC, inorganic supports like Al{sub 2}O{sub 3}, SiO{sub 2}/ZrO{sub 2} or TiO{sub 2} respectively and commercial iron catalysts applied for styrene production did not show comparable catalytic activity in similar conditions. (orig.)

Fabrication of Core-Shell Structural SiO2@H3[PM12O40] Material and Its Catalytic Activity

Directory of Open Access Journals (Sweden)

Xin Yang

2014-01-01

Full Text Available Through a natural tree grain template and sol-gel technology, the heterogeneous catalytic materials based on polyoxometalate compounds H3[PM12O40] encapsulating SiO2: SiO2@H3[PM12O40] (SiO2@PM12, M = W, Mo with core-shell structure had been prepared. The structure and morphology of the core-shell microspheres were characterized by the XRD, IR spectroscopy, UV-Vis absorbance, and SEM. These microsphere materials can be used as heterogeneous catalysts with high activity and stability for catalytic wet air oxidation of pollutant dyes safranine T (ST at room condition. The results show that the catalysts have excellent catalytic activity in treatment of wastewater containing 10 mg/L ST, and 94% of color can be removed within 60 min. Under different cycling runs, it is shown that the catalysts are stable under such operating conditions and the leaching tests show negligible leaching effect owing to the lesser dissolution.

Effect of catalysts on heterogeneous oxidation of coal

Energy Technology Data Exchange (ETDEWEB)

Glazkova, A P; Kazarova, Yu A; Suslov, A V

1978-01-01

Analyzes the effects of catalysts on the heterogeneous oxidation of coal in deflagration processes of stoichiometric mixtures. The following substances are studied as catalysts: alkali and alkaline-earth metals, and compounds of copper, lead, chromium, iron, and sulfur. In the first case the catalysts are used in the form of nitrates and the nitrate simultaneously plays the role of an oxidizer. In the second case the catalysts are added to stoichiometric mixtures of ammonium nitrate with carbon. It is shown that during carbon oxidation by nitrates the catalytic efficiency of the metals studied forms the following order: sodium > lead > potassium > barium > aluminium > calcium > magnesium > copper. The calculated and experimental parameters of combustion are given. The problem of dependence of combustion rate on combustion heat, the mechanism of the combustion reaction and the catalytic effects of the additives are discussed. Features of heterogeneous catalysis in the oxidation process of carbon by various oxidizers are analyzed. The investigations on the combustion process are important as the process takes place during explosion of coal dust in underground coal mines and during burning of coal in industrial furnaces. (34 refs.) (In Russian)

Fluorine-doped carbon nanotubes as an efficient metal-free catalyst for destruction of organic pollutants in catalytic ozonation.

Science.gov (United States)

Wang, Jing; Chen, Shuo; Quan, Xie; Yu, Hongtao

2018-01-01

Metal-free carbon materials have been presented to be potential alternatives to metal-based catalysts for heterogeneous catalytic ozonation, yet the catalytic performance still needs to be enhanced. Doping carbon with non-metallic heteroatoms (e.g., N, B, and F) could alter the electronic structure and electrochemical properties of original carbon materials, has been considered to be an effective method for improving the catalytic activity of carbon materials. Herein, fluorine-doped carbon nanotubes (F-CNTs) were synthesized via a facile method and characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. The as-synthesized F-CNTs exhibited notably enhanced catalytic activity towards catalytic ozonation for the degradation of organic pollutants. The oxalic acid removal efficiency of optimized F-CNTs was approximately two times as much as that of pristine CNTs, and even exceeded those of four conventional metal-based catalysts (ZnO, Al 2 O 3 , Fe 2 O 3 , and MnO 2 ). The XPS and Raman studies confirmed that the covalent CF bonds were formed at the sp 3 C sites instead of sp 2 C sites on CNTs, not only resulting in high positive charge density of C atoms adjacent to F atoms, but remaining the delocalized π-system with intact carbon structure of F-CNTs, which then favored the conversion of ozone molecules (O 3 ) into reactive oxygen species (ROS) and contributed to the high oxalic acid removal efficiency. Furthermore, electron spin resonance (ESR) studies revealed that superoxide radicals (O 2 - ) and singlet oxygen ( 1 O 2 ) might be the dominant ROS that responsible for the degradation of oxalic acid in these catalytic systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

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.

Selective catalytic reduction system and process using a pre-sulfated zirconia binder

Science.gov (United States)

Sobolevskiy, Anatoly; Rossin, Joseph A.

2010-06-29

A selective catalytic reduction (SCR) process with a palladium catalyst for reducing NOx in a gas, using hydrogen as a reducing agent is provided. The process comprises contacting the gas stream with a catalyst system, the catalyst system comprising (ZrO.sub.2)SO.sub.4, palladium, and a pre-sulfated zirconia binder. The inclusion of a pre-sulfated zirconia binder substantially increases the durability of a Pd-based SCR catalyst system. A system for implementing the disclosed process is further provided.

Heterogeneous Silicon Photonics OFDR Sensing System, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Luna will team with Dr. John Bowers of UCSB to develop an Optical Frequency Domain Reflectometry (OFDR) system-on-chip using heterogeneous silicon photonics to...

Heterogeneous self-assembled media for biopolymerization

DEFF Research Database (Denmark)

Monnard, Pierre-Alain

2011-01-01

Heterogeneous media, such as micro-structured aqueous environments, could offer an alternative approach to the synthesis of biopolymers with novel functions. Structured media are here defined as specialized, self-assembled structures that are formed, e.g, by amphiphiles, such as liposomes, emulsion...... polymerization, the initial elongation rates clearly depended on the complementarity of the monomers with the templating nucleobases3. However, metal-ion catalyzed reactions deliver RNA analogs with heterogeneous linkages. Moreover, the usefulness of this medium in the form of quasi-compartmentalization extends...... beyond metal-ion catalysis reactions, as we have recently demonstrated the catalytic power of a dipeptide, SerHis, for the regioselective formation of phosphodiester bonds. These results in conjonction with the synthesis of nucleobases at -78˚C, the demonstration of ribozyme activity (RNA ligase ribozyme...

Reward and aversion in a heterogeneous midbrain dopamine system.

Science.gov (United States)

Lammel, Stephan; Lim, Byung Kook; Malenka, Robert C

2014-01-01

The ventral tegmental area (VTA) is a heterogeneous brain structure that serves a central role in motivation and reward processing. Abnormalities in the function of VTA dopamine (DA) neurons and the targets they influence are implicated in several prominent neuropsychiatric disorders including addiction and depression. Recent studies suggest that the midbrain DA system is composed of anatomically and functionally heterogeneous DA subpopulations with different axonal projections. These findings may explain a number of previously confusing observations that suggested a role for DA in processing both rewarding as well as aversive events. Here we will focus on recent advances in understanding the neural circuits mediating reward and aversion in the VTA and how stress as well as drugs of abuse, in particular cocaine, alter circuit function within a heterogeneous midbrain DA system. This article is part of a Special Issue entitled 'NIDA 40th Anniversary Issue'. Copyright © 2013 Elsevier Ltd. All rights reserved.

Indium triflate in 1-isobutyl-3-methylimidazolium dihydrogenphosphate: an efficient and green catalytic system for Friedel-Crafts acylation

DEFF Research Database (Denmark)

Tran, Phuong Hoang; Hoang, Huy Manh; Chau, Duy-Khiem Nguyen

2015-01-01

Indium triflate in the ionic liquid, 1-isobutyl-3-methylimidazolium dihydrogen phosphate ([i-BMIM]H2PO4), was found to show enhanced catalytic activity in the Friedel–Crafts acylation of various aromatic compounds with acid anhydrides. The catalytic system was easily recovered and reused without...

Activities of Heterogeneous Acid-Base Catalysts for Fragrances Synthesis: A Review

Directory of Open Access Journals (Sweden)

Hartati Hartati

2013-06-01

Full Text Available This paper reviews various types of heterogeneous acid-base catalysts for fragrances preparation. Catalytic activities of various types of heterogeneous acid and base catalysts in fragrances preparation, i.e. non-zeolitic, zeolitic, and mesoporous molecular sieves have been reported. Generally, heterogeneous acid catalysts are commonly used in fragrance synthesis as compared to heterogeneous base catalysts. Heteropoly acids and hydrotalcites type catalysts are widely used as heterogeneous acid and base catalysts, respectively. © 2013 BCREC UNDIP. All rights reservedReceived: 20th January 2013; Revised: 31st March 2013; Accepted: 1st April 2013[How to Cite: Hartati, H., Santoso, M., Triwahyono, S., Prasetyoko, D. (2013. Activities of Heterogeneous Acid-Base Catalysts for Fragrances Synthesis: A Review. Bulletin of Chemical Reaction Engineering & Catalysis, 8 (1: 14-33. (doi:10.9767/bcrec.8.1.4394.14-33][Permalink/DOI: http://dx.doi.org/10.9767/bcrec.8.1.4394.14-33] | View in  |

Ruthenium nanoparticles supported on CeO2 for catalytic permanganate oxidation of butylparaben.

Science.gov (United States)

Zhang, Jing; Sun, Bo; Guan, Xiaohong; Wang, Hui; Bao, Hongliang; Huang, Yuying; Qiao, Junlian; Zhou, Gongming

2013-11-19

This study developed a heterogeneous catalytic permanganate oxidation system with ceria supported ruthenium, Ru/CeO2 (0.8‰ as Ru), as catalyst for the first time. The catalytic performance of Ru/CeO2 toward butylparaben (BP) oxidation by permanganate was strongly dependent on its dosage, pH, permanganate concentration and temperature. The presence of 1.0 g L(-1) Ru/CeO2 increased the oxidation rate of BP by permanganate at pH 4.0-8.0 by 3-96 times. The increase in Ru/CeO2 dosage led to a progressive enhancement in the oxidation rate of BP by permanganate at neutral pH. The XANES analysis revealed that (1) Ru was deposited on the surface of CeO2 as Ru(III); (2) Ru(III) was oxidized by permanganate to its higher oxidation state Ru(VI) and Ru(VII), which acted as the co-oxidants in BP oxidation; (3) Ru(VI) and Ru(VII) were reduced by BP to its initial state of Ru(III). Therefore, Ru/CeO2 acted as an electron shuttle in catalytic permanganate oxidation process. LC-MS/MS analysis implied that BP was initially attacked by permanganate or Ru(VI) and Ru(VII) at the aromatic ring, leading to the formation of various hydroxyl-substituted and ring-opening products. Ru/CeO2 could maintain its catalytic activity during the six successive runs. In conclusion, catalyzing permanganate oxidation with Ru/CeO2 is a promising technology for degrading phenolic pollutants in water treatment.

Evaporation rates and surface profiles on heterogeneous surfaces with mass transfer and surface reaction

Energy Technology Data Exchange (ETDEWEB)

Flytzani-Stephanopoulos, M; Schmidt, L D

1979-01-01

Simple models incorporating surface reaction and diffusion of volatile products through a boundary layer are developed to calculate effective rates of evaporation and local surface profiles on surfaces having active and inactive regions. The coupling between surface heterogeneities with respect to a particular reaction and external mass transfer may provide a mechanism for the surface rearrangement and metal loss encountered in several catalytic systems of practical interest. Calculated transport rates for the volatilization of platinum in oxidizing environments and the rearrangement of this metal during the ammonia oxidation reaction agree well with published experimental data.

Catalytic activity of metal borides in the reaction of decomposition

International Nuclear Information System (INIS)

Labodi, I.; Korablev, L.I.; Tavadyan, L.A.; Blyumberg, Eh.A.

1982-01-01

Catalytic effect of CoB, MoB 2 , ZrB 2 and NbB 2 , prepared by the method of self-propagating high-temperature synthesis, on decomposition of tertiary butyl hydroperoxide has been studied. A technigue of determination of action mechanism of heterogeneous catalysts in liquid-phase process is suggested. It is established that CoB in contrast to other metal borides catalyzes only hydroperoxide decomposition into radicals

Reactivity of nanoaggregations of platinum on supports of different nature in reactions of catalytic decomposition of hydrazine in acid media

International Nuclear Information System (INIS)

Anan'ev, A.V.; Boltoeva, M.Yu.; Grigor'ev, M.S.; Shilov, V.P.; Sharygin, L.M.

2006-01-01

Platinized catalysts on the basis of supports of different chemical nature are tested in reactions of catalytic hydrazine decomposition in perchloric and nitric acid solutions. In perchloric acid catalytic activity of catalysts on the basis of ceramic materials of Termoksid brand is higher of activity of catalysts on the basis of amorphous silica gel. In nitric acid solutions opposite dependence is observed. Tendency of ceramic supports to peptization in acid solutions is pointed out. Results obtained are interpreted using conceptions of energetic heterogeneity of surface atoms and hydrazine catalytic decomposition mechanisms in different media [ru

Computer Aided Prototyping System (CAPS) for Heterogeneous Systems Development and Integration

OpenAIRE

Luqi; Berzins, V.; Shing, M.; Nada, N.; Eagle, C.

2000-01-01

2000 Command and Control Research and Technology Symposium (CCRTS), June 11-13, 2000, Naval Postgraduate School, Monterey, CA This paper addresses the problem of how to produce reliable software that is also flexible and cost effective for the DoD distributed software domain. DoD software systems fall into two categories: information systems and war fighter systems. Both types of systems can be distributed, heterogeneous and network-based, consisting of a set of components running...

A Sustainable Nanocomposite Au(Salen)@CC for Catalytic Degradation of Eosin Y and Chromotrope 2R Dyes.

Science.gov (United States)

Mayani, Vishal J; Mayani, Suranjana V; Kim, Sang Wook

2017-08-03

Up to now, a very few catalysts have been developed approaching the heterogeneous catalytic degradation of Eosin Y and Chromotrope 2R dyes (Acid Red 29). The present study provides a complete perspective of recyclable nanocomposite Au(Salen)@CC for catalytic degradation of hazardous water pollutant dyes viz., Eosin Y & Chromotrope 2R using mild reaction conditions. New gold Salen complex doped carbon nanocomposite Au(Salen)@CC was developed by easy methodology using nano carbon cage (CC) prepared from low-priced Pyrolysis fuel oil (PFO) residue based Pitch. The UV-Vis adsorption spectroscopy results of Eosin Y and Chromotrope 2R dyes indicated complete degradation into acidic compounds which can be further mineralized to CO 2 and H 2 O under mild reaction conditions. The heterogeneous catalyst recycled and reused successfully for four repeated experiments without loss in its adequate performance. This new sustainable and eco-friendly catalyst delivered significant degradation activity compared to existing reports and it can be further utilized for new multifunctional applications such as, radiopharmaceutical activities, heterogeneous catalysis and chiral resolution.

Electronic factors in catalysis: the volcano curve and the effect of promotion in catalytic ammonia synthesis

DEFF Research Database (Denmark)

Dahl, Søren; Logadottir, Ashildur; Jacobsen, C.J.H.

2001-01-01

The activity and selectivity of heterogeneous catalysts are determined by their electronic and structural properties. In many cases, the electronic properties are determined by the choice of both the catalytically active transition metal and promoter elements. Density functional theory is used...

Magnetism in heterogeneous thin film systems: Resonant X-ray scattering studies

International Nuclear Information System (INIS)

Kortright, J.B.; Jiang, J.S.; Bader, S.D.; Hellwig, O.; Marguiles, D.T.; Fullerton, E.E.

2002-01-01

Magnetic and chemical heterogeneity are common in a broad range of magnetic thin film systems. Emerging resonant soft x-ray scattering techniques are well suited to resolve such heterogeneity at relevant length scales. Resonant x-ray magneto-optical Kerr effect measurements laterally average over heterogeneity but can provide depth resolution in different ways, as illustrated in measurements resolving reversible and irreversible changes in different layers of exchange-spring heterostructures. Resonant small-angle scattering measures in-plane heterogeneity and can resolve magnetic and chemical scattering sources in different ways, as illustrated in measurements of granular alloy recording media

Development of a syngas-fired catalytic combustion system for hybrid solar-thermal applications

International Nuclear Information System (INIS)

Gupta, Mayank; Pramanik, Santanu; Ravikrishna, R.V.

2016-01-01

Highlights: • Syngas-fired combustor concept as hybrid heat source for solar thermal application. • Experimental characterization of catalytic combustor under fuel-rich conditions. • Stable operation, quick startup, and high turn-down ratio demonstrated. • Reacting flow CFD simulations of single channel of catalytic monolith. - Abstract: This paper describes the development and operation of a catalytic combustion system for use with syngas as an important component of a hybrid heating source for solar-thermal power generation. The reactor consists of a cylindrical ceramic monolith with porous alumina washcoat in which platinum is distributed as the catalyst. Two fuel-rich equivalence ratios were studied over a range of flow rates. The fuel-rich conditions permit low temperature combustion without the problem of hotspots likely to occur under fuel-lean conditions with hydrogen-containing fuels. Experimental data of temperature and species concentration at the exit of the reactor have been reported for a maximum fuel thermal input of 34 kW. The system exhibited quick start-up with a light-off time of around 60 s and a steady-state time of around 200 s as determined from the transient temperature profiles. The experimental results have also been complemented with detailed two-dimensional numerical simulations for improved understanding of the combustion characteristics in the reactor. The simulations suggest that the combustion system can be operated at a turn-down ratios far in excess of 1.67, which is the maximum value that has been investigated in the present setup. Stable operation, quick startup, and high turn-down ratio are some of the key features that enable the proposed combustion system to accommodate the transients in solar-thermal applications.

Catalysis by Design: Well-Defined Single-Site Heterogeneous Catalysts

KAUST Repository

Pelletier, Jeremie

2016-03-09

ConspectusHeterogeneous catalysis, a field important industrially and scientifically, is increasingly seeking and refining strategies to render itself more predictable. The main issue is due to the nature and the population of catalytically active sites. Their number is generally low to very low, their "acid strengths" or " redox properties" are not homogeneous, and the material may display related yet inactive sites on the same material. In many heterogeneous catalysts, the discovery of a structure-activity reationship is at best challenging. One possible solution is to generate single-site catalysts in which most, if not all, of the sites are structurally identical. Within this context and using the right tools, the catalyst structure can be designed and well-defined, to reach a molecular understanding. It is then feasible to understand the structure-activity relationship and to develop predictable heterogeneous catalysis. Single-site well-defined heterogeneous catalysts can be prepared using concepts and tools of surface organometallic chemistry (SOMC). This approach operates by reacting organometallic compounds with surfaces of highly divided oxides (or of metal nanoparticles). This strategy has a solid track record to reveal structure-activity relationship to the extent that it is becoming now quite predictable. Almost all elements of the periodical table have been grafted on surfaces of oxides (from simple oxides such as silica or alumina to more sophisticated materials regarding composition or porosity).Considering catalytic hydrocarbon transformations, heterogeneous catalysis outcome may now be predicted based on existing mechanistic proposals and the rules of molecular chemistry (organometallic, organic) associated with some concepts of surface sciences. A thorough characterization of the grafted metal centers must be carried out using tools spanning from molecular organometallic or surface chemistry. By selection of the metal, its ligand set, and the

A polyoxometalate-encapsulating cationic metal-organic framework as a heterogeneous catalyst for desulfurization.

Science.gov (United States)

Hao, Xiu-Li; Ma, Yuan-Yuan; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo

2015-02-23

A new cationic triazole-based metal-organic framework encapsulating Keggin-type polyoxometalates, with the molecular formula [Co(BBPTZ)3][HPMo12O40]⋅24 H2O [compound 1; BBPTZ = 4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl] is hydrothermally synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, powder X-ray diffraction, and single-crystal X-ray diffraction. The structure of compound 1 contains a non-interpenetrated 3D CdSO4 (cds)-type framework with two types of channels that are interconnected with each other; straight channels that are occupied by the Keggin-type POM anions, and wavelike channels that contain lattice water molecules. The catalytic activity of compound 1 in the oxidative desulfurization reaction indicates that it is not only an effective and size-selective heterogeneous catalyst, but it also exhibits distinct structural stability in the catalytic reaction system. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spatial heterogeneities and variability of karst hydro-system : insights from geophysics

Science.gov (United States)

Champollion, C.; Fores, B.; Lesparre, N.; Frederic, N.

2017-12-01

Heterogeneous systems such as karsts or fractured hydro-systems are challenging for both scientist and groundwater resources management. Karsts heterogeneities prevent the comparison and moreover the combination of data representative of different scales: borehole water level can generally not be used directly to interpret spring flow dynamic for example. The spatial heterogeneity has also an impact on the temporal variability of groundwater transfer and storage. Karst hydro-systems have characteristic non linear relation between precipitation amount and discharge at the outlets with threshold effects and a large variability of groundwater transit times In the presentation, geophysical field experiments conducted in karst hydro-system in the south of France are used to investigate groundwater transfer and storage variability at a scale of a few hundred meters. We focus on the added value of both geophysical time-lapse gravity experiments and 2D ERT imaging of the subsurface heterogeneities. Both gravity and ERT results can only be interpreted with large ambiguity or some strong a priori: the relation between resistivity and water content is not unique; almost no information about the processes can be inferred from the groundwater stock variations. The present study demonstrate how the ERT and gravity field experiments can be interpreted together in a coherent scheme with less ambiguity. First the geological and hydro-meteorological context is presented. Then the ERT field experiment including the processing and the results are detailed in the section about geophysical imaging of the heterogeneities. The gravity double difference (S2D) time-lapse experiment is described in the section about geophysical monitoring of the temporal variability. The following discussion demonstrate the impact of both experiments on the interpretation in terms of processes and heterogeneities.

Dual Role of Water in Heterogeneous Catalytic Hydrolysis of Sarin by Zirconium-Based Metal-Organic Frameworks.

Science.gov (United States)

Momeni, Mohammad R; Cramer, Christopher J

2018-05-22

Recent experimental studies on Zr IV -based metal-organic frameworks (MOFs) have shown the extraordinary effectiveness of these porous materials for the detoxification of phosphorus-based chemical warfare agents (CWAs). However, pressing challenges remain with respect to characterizing these catalytic processes both at the molecular and crystalline levels. We here use theory to compare the reactivity of different zirconium-based MOFs for the catalytic hydrolysis of the CWA sarin, using both periodic and cluster modeling. We consider both hydrated and dehydrated secondary building units, as well as linker functionalized MOFs, to more fully understand and rationalize available experimental findings as well as to enable concrete predictions for achieving higher activities for the decomposition of CWAs.

Electrochemical, H2O2-Boosted Catalytic Oxidation System

Science.gov (United States)

Akse, James R.; Thompson, John O.; Schussel, Leonard J.

2004-01-01

An improved water-sterilizing aqueous-phase catalytic oxidation system (APCOS) is based partly on the electrochemical generation of hydrogen peroxide (H2O2). This H2O2-boosted system offers significant improvements over prior dissolved-oxygen water-sterilizing systems in the way in which it increases oxidation capabilities, supplies H2O2 when needed, reduces the total organic carbon (TOC) content of treated water to a low level, consumes less energy than prior systems do, reduces the risk of contamination, and costs less to operate. This system was developed as a variant of part of an improved waste-management subsystem of the life-support system of a spacecraft. Going beyond its original intended purpose, it offers the advantage of being able to produce H2O2 on demand for surface sterilization and/or decontamination: this is a major advantage inasmuch as the benign byproducts of this H2O2 system, unlike those of systems that utilize other chemical sterilants, place no additional burden of containment control on other spacecraft air- or water-reclamation systems.

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.

Metainference: A Bayesian inference method for heterogeneous systems.

Science.gov (United States)

Bonomi, Massimiliano; Camilloni, Carlo; Cavalli, Andrea; Vendruscolo, Michele

2016-01-01

Modeling a complex system is almost invariably a challenging task. The incorporation of experimental observations can be used to improve the quality of a model and thus to obtain better predictions about the behavior of the corresponding system. This approach, however, is affected by a variety of different errors, especially when a system simultaneously populates an ensemble of different states and experimental data are measured as averages over such states. To address this problem, we present a Bayesian inference method, called "metainference," that is able to deal with errors in experimental measurements and with experimental measurements averaged over multiple states. To achieve this goal, metainference models a finite sample of the distribution of models using a replica approach, in the spirit of the replica-averaging modeling based on the maximum entropy principle. To illustrate the method, we present its application to a heterogeneous model system and to the determination of an ensemble of structures corresponding to the thermal fluctuations of a protein molecule. Metainference thus provides an approach to modeling complex systems with heterogeneous components and interconverting between different states by taking into account all possible sources of errors.

Catalytic Hydrotreatment of Fast Pyrolysis Oil : Model Studies on Reaction Pathways for the Carbohydrate Fraction

NARCIS (Netherlands)

Wildschut, J.; Arentz, J.; Rasrendra, C. B.; Venderbosch, R. H.; Heeres, H. J.

2009-01-01

Fast pyrolysis oil can be upgraded by a catalytic hydrotreatment (250-400 degrees C, 100-200 bar) using heterogeneous catalysts such as Ru/C to hydrocarbon-like products that can serve as liquid transportation fuels. Insight into the complex reaction pathways of the various component fractions

Short-term synaptic plasticity and heterogeneity in neural systems

Science.gov (United States)

Mejias, J. F.; Kappen, H. J.; Longtin, A.; Torres, J. J.

2013-01-01

We review some recent results on neural dynamics and information processing which arise when considering several biophysical factors of interest, in particular, short-term synaptic plasticity and neural heterogeneity. The inclusion of short-term synaptic plasticity leads to enhanced long-term memory capacities, a higher robustness of memory to noise, and irregularity in the duration of the so-called up cortical states. On the other hand, considering some level of neural heterogeneity in neuron models allows neural systems to optimize information transmission in rate coding and temporal coding, two strategies commonly used by neurons to codify information in many brain areas. In all these studies, analytical approximations can be made to explain the underlying dynamics of these neural systems.

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.

Optimization of large-scale heterogeneous system-of-systems models.

Energy Technology Data Exchange (ETDEWEB)

Parekh, Ojas; Watson, Jean-Paul; Phillips, Cynthia Ann; Siirola, John; Swiler, Laura Painton; Hough, Patricia Diane (Sandia National Laboratories, Livermore, CA); Lee, Herbert K. H. (University of California, Santa Cruz, Santa Cruz, CA); Hart, William Eugene; Gray, Genetha Anne (Sandia National Laboratories, Livermore, CA); Woodruff, David L. (University of California, Davis, Davis, CA)

2012-01-01

Decision makers increasingly rely on large-scale computational models to simulate and analyze complex man-made systems. For example, computational models of national infrastructures are being used to inform government policy, assess economic and national security risks, evaluate infrastructure interdependencies, and plan for the growth and evolution of infrastructure capabilities. A major challenge for decision makers is the analysis of national-scale models that are composed of interacting systems: effective integration of system models is difficult, there are many parameters to analyze in these systems, and fundamental modeling uncertainties complicate analysis. This project is developing optimization methods to effectively represent and analyze large-scale heterogeneous system of systems (HSoS) models, which have emerged as a promising approach for describing such complex man-made systems. These optimization methods enable decision makers to predict future system behavior, manage system risk, assess tradeoffs between system criteria, and identify critical modeling uncertainties.

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.

Energy-aware Thread and Data Management in Heterogeneous Multi-core, Multi-memory Systems

Energy Technology Data Exchange (ETDEWEB)

Su, Chun-Yi [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

2014-12-16

By 2004, microprocessor design focused on multicore scaling—increasing the number of cores per die in each generation—as the primary strategy for improving performance. These multicore processors typically equip multiple memory subsystems to improve data throughput. In addition, these systems employ heterogeneous processors such as GPUs and heterogeneous memories like non-volatile memory to improve performance, capacity, and energy efficiency. With the increasing volume of hardware resources and system complexity caused by heterogeneity, future systems will require intelligent ways to manage hardware resources. Early research to improve performance and energy efficiency on heterogeneous, multi-core, multi-memory systems focused on tuning a single primitive or at best a few primitives in the systems. The key limitation of past efforts is their lack of a holistic approach to resource management that balances the tradeoff between performance and energy consumption. In addition, the shift from simple, homogeneous systems to these heterogeneous, multicore, multi-memory systems requires in-depth understanding of efficient resource management for scalable execution, including new models that capture the interchange between performance and energy, smarter resource management strategies, and novel low-level performance/energy tuning primitives and runtime systems. Tuning an application to control available resources efficiently has become a daunting challenge; managing resources in automation is still a dark art since the tradeoffs among programming, energy, and performance remain insufficiently understood. In this dissertation, I have developed theories, models, and resource management techniques to enable energy-efficient execution of parallel applications through thread and data management in these heterogeneous multi-core, multi-memory systems. I study the effect of dynamic concurrent throttling on the performance and energy of multi-core, non-uniform memory access

Advanced Heterogeneous Fenton Treatment of Coalbed Methane-Produced Water Containing Fracturing Fluid

Directory of Open Access Journals (Sweden)

Meng Zhang

2018-04-01

Full Text Available This study investigated the heterogeneous Fenton treatment to process coalbed methane-produced water containing fracturing fluid and chose the development region of coalbed methane in the Southern Qinshui Basin as a research area. We synthesized the catalyst of Fe-Co/γ-Al2O3 by homogeneous precipitation method and characterized it by BET, XRD, SEM-EDS, FTIR, and XPS. Based on the degradation rate, we studied the influences of the heterogeneous Fenton method on the coalbed methane output water treatment process parameters, including initial pH, H2O2 concentration, and the catalyst concentration. We also investigated the impacts of overall reaction kinetics of heterogeneous catalytic oxidation on coalbed methane-produced water containing fracturing fluid. Results showed that Fe-Co/γ-Al2O3 as a Fenton catalyst has a good catalytic oxidation effect and can effectively process coalbed methane-produced water. This reaction also followed first-order kinetics. The optimal conditions were as follows: the initial pH of 3.5, a H2O2 concentration of 40 mol L−1, a catalyst concentration of 4 g/L, and an apparent reaction rate constant of 0.0172 min−1. Our results provided a basis to establish methods for treating coalbed methane-produced water.

Heterogeneous System Architectures from APUs to discrete GPUs

CERN Multimedia

CERN. Geneva

2013-01-01

We will present the Heterogeneous Systems Architectures that new AMD processors are bringing with the new GCN based GPUs and the new APUs. We will show how together they represent a huge step forward for programming flexibility and performance efficiently for Compute.

The concept, reality and utility of single-site heterogeneous catalysts (SSHCs).

Science.gov (United States)

Thomas, John Meurig

2014-05-07

Very substantial advances have recently been made in the design and construction of solid catalysts and in elucidating both their mode of operation and the factors that determine their selectivity and longevity. This Perspective explains how and why such progress has been made. One important factor, the deployment of single-site heterogeneous and enzymatic catalysts, used either alone or in conjunction with other strategies, including metabolic engineering, enables a multitude of new products (for example, environmentally clean jet fuel) to be readily manufactured. In a practical sense SSHCs enable the advantages of homogeneous and to a lesser degree enzymatic catalysts to be united with those of heterogeneous ones. With the aid of the vastly increasing families of nanoporous solids, desired catalytically active sites may be engineered in atomic detail on their inner, accessible surfaces, thereby opening up new possibilities in synthetic organic chemistry - as in the smooth formation of C-C and C[double bond, length as m-dash]N bonds in a number of intermolecular reactions - as well as in photocatalysts and in fluidized catalytic cracking of hydrocarbons.

The enhanced catalytic degradation of SiO{sub 2}/Fe{sub 3}O{sub 4}/C@TiO{sub 2} photo-Fenton system on p-nitrophenol

Energy Technology Data Exchange (ETDEWEB)

Hou, Yanhui; Wang, Yechen; Yuan, Huili; Chen, Hang; Chen, Guowei; Shen, Junhai; Li, Liangchao, E-mail: sky52@zjnu.cn [Zhejiang Normal University, Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Department of Chemistry (China)

2016-11-15

Heterogeneous photo-Fenton SiO{sub 2}/Fe{sub 3}O{sub 4}/C@TiO{sub 2} (SFCT) catalyst with a core-multishell structure and a diameter of about 550 nm was successfully prepared and was characterized by scanning electron microscopy (SEM), TEM, XRD, Raman, and Fourier transform infrared (FT-IR). The results illustrated that anatase TiO{sub 2} coexisted with rutile TiO{sub 2}, in which the anatase phase was the main crystal phase. In addition, the catalytic activity of SFCT catalyst had been evaluated in the catalytic degradation on p-nitrophenol (PNP). The influence factors on the PNP degradation, including SFCT component ratio (m{sub SFC}/ m{sub TiO2}), H{sub 2}O{sub 2} dosage, solution pH, and PNP concentration, had been investigated. And the contrast experiments about the photo-Fenton catalytic mechanism revealed that the SFCT-2 catalyst possessed a superior activity in the neutral environment due to the optimal activity matching between Fe{sub 3}O{sub 4} and TiO{sub 2}, and it exhibited the stable catalytic performance after five successive recycles. Therefore, the SFCT-2 catalyst had a promising application for the photo-Fenton degradation of organic contaminant.

Heterogeneity and subjectivity in binary-state opinion formation systems

International Nuclear Information System (INIS)

Guo, Long; Luo, Zhongjie; Zhu, Yueying

2013-01-01

In society, there is heterogeneous interaction and randomness in human decision making. In order to unfold the roles and the competition of the two factors mentioned above in opinion formation, we propose a toy model, which follows a majority rule with a Fermi function, on scale-free networks with degree exponent γ. The heterogeneous interaction is related to the connectivity of a person with the interactive parameter β, and the randomness of human decision making is quantified by the interaction noise T. We find that a system with heterogeneity of network topology and interaction shows robustness perturbed by the interaction noise T according to the theoretical analysis and numerical simulation. Then, when T → 0, the homogeneous interaction (β ≃ 0) has a powerful implication for the emergence of a consensus state. Furthermore, the emergence of the two extreme values shows the competition of the heterogeneity of interaction and the subjectivity of human decision making in opinion formation. Our present work provides some perspective on and tools for understanding the diversity of opinion in our society. (paper)

Rapid and facile preparation of zinc ferrite (ZnFe{sub 2}O{sub 4}) oxide by microwave-solvothermal technique and its catalytic activity in heterogeneous photo-Fenton reaction

Energy Technology Data Exchange (ETDEWEB)

Anchieta, Chayene G.; Severo, Eric C.; Rigo, Caroline; Mazutti, Marcio A. [Department of Chemical Engineering, Federal University of Santa Maria, 97105-900, Santa Maria (Brazil); Kuhn, Raquel C., E-mail: raquelckuhn@yahoo.com.br [Department of Chemical Engineering, Federal University of Santa Maria, 97105-900, Santa Maria (Brazil); Muller, Edson I.; Flores, Erico M.M. [Department of Chemistry, Federal University of Santa Maria, 97105-900, Santa Maria (Brazil); Moreira, Regina F.P.M. [Department of Chemical Engineering and Food Engineering, Federal University of Santa Catarina, 88040-970, Florianópolis (Brazil); Foletto, Edson L. [Department of Chemical Engineering, Federal University of Santa Maria, 97105-900, Santa Maria (Brazil)

2015-06-15

In this work zinc ferrite (ZnFe{sub 2}O{sub 4}) oxide was rapidly and easily prepared by microwave-solvothermal route and its catalytic property in photo-Fenton reaction was evaluated. The effects of microwave heating time and power on the properties of produced particles were investigated. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), atomic force microscopy (AFM) and nitrogen adsorption–desorption isotherms were the techniques used for characterizing the solid products. The synthesized material was tested as a catalyst in the degradation of the textile dye molecule by the heterogeneous photo-Fenton process. Characterization results showed that the microwave heating time and power have significant influences on the formation of the phase spinel as well as on its physical properties. The reaction results showed that the ZnFe{sub 2}O{sub 4} oxide has good photocatalytic activity, which can be attributed to high surface area and pore volume, and large pore size. The ZnFe{sub 2}O{sub 4} oxide produced by the microwave irradiation exhibited promising photocatalytic activity for the removal of textile dye, reaching nearly 100% of decolorization at 40 min and 60% of mineralization at 240 min. Therefore, ZnFe{sub 2}O{sub 4} particles rapidly prepared by the microwave route have the potential for use in treatment of textile wastewater by the heterogeneous photo-Fenton process. - Highlights: • ZnFe{sub 2}O{sub 4} was synthesized by microwave-solvothermal method. • ZnFe{sub 2}O{sub 4} was prepared by different microwave heating times and powers. • ZnFe{sub 2}O{sub 4} was used as heterogeneous photo-Fenton catalyst. • Degradation of Procion red dye using heterogeneous photo-Fenton process. • ZnFe{sub 2}O{sub 4} was highly efficient to degrade textile dye under visible light.

Theoretical Studies in Heterogenous Catalysis: Towards a Rational Design of Novel Catalysts for Hydrodesulfurization and Hydrogen Production

Energy Technology Data Exchange (ETDEWEB)

Rodriguez,J.A.; Liu, P.

2008-10-01

Traditionally, knowledge in heterogeneous catalysis has come through empirical research. Nowadays, there is a clear interest to change this since millions of dollars in products are generated every year in the chemical and petrochemical industries through catalytic processes. To obtain a fundamental knowledge of the factors that determine the activity of heterogeneous catalysts is a challenge for modern science since many of these systems are very complex in nature. In principle, when a molecule adsorbs on the surface of a heterogeneous catalyst, it can interact with a large number of bonding sites. It is known that the chemical properties of these bonding sites depend strongly on the chemical environment around them. Thus, there can be big variations in chemical reactivity when going from one region to another in the surface of a heterogeneous catalyst. A main objective is to understand how the structural and electronic properties of a surface affect the energetics for adsorption processes and the paths for dissociation and chemical reactions. In recent years, advances in instrumentation and experimental procedures have allowed a large series of detailed works on the surface chemistry of heterogeneous catalysts. In many cases, these experimental studies have shown interesting and unique phenomena. Theory is needed to unravel the basic interactions behind these phenomena and to provide a general framework for the interpretation of experimental results. Ideally, theoretical calculations based on density-functional theory have evolved to the point that one should be able to predict patterns in the activity of catalytic surfaces. As in the case of experimental techniques, no single theoretical approach is able to address the large diversity of phenomena occurring on a catalyst. Catalytic surfaces are usually modeled using either a finite cluster or a two-dimensionally periodic slab. Many articles have been published comparing the results of these two approaches. An

3D stacked chips from emerging processes to heterogeneous systems

CERN Document Server

Fettweis, Gerhard

2016-01-01

This book explains for readers how 3D chip stacks promise to increase the level of on-chip integration, and to design new heterogeneous semiconductor devices that combine chips of different integration technologies (incl. sensors) in a single package of the smallest possible size.  The authors focus on heterogeneous 3D integration, addressing some of the most important challenges in this emerging technology, including contactless, optics-based, and carbon-nanotube-based 3D integration, as well as signal-integrity and thermal management issues in copper-based 3D integration. Coverage also includes the 3D heterogeneous integration of power sources, photonic devices, and non-volatile memories based on new materials systems.   •Provides single-source reference to the latest research in 3D optoelectronic integration: process, devices, and systems; •Explains the use of wireless 3D integration to improve 3D IC reliability and yield; •Describes techniques for monitoring and mitigating thermal behavior in 3D I...

Magnetic nickel ferrite nanoparticles as highly durable catalysts for catalytic transfer hydrogenation of bio-based aldehydes

DEFF Research Database (Denmark)

He, Jian; Yang, Song; Riisager, Anders

2018-01-01

Magnetic nickel ferrite (NiFe2O4) nanoparticles were exploited as stable and easily separable heterogeneous catalysts for catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol with 2-propanol as both the hydrogen source and the solvent providing 94% product yield at 180 degrees C...

Effects of γ-irradiation and ageing on surface and catalytic properties of nano-sized Cu O/Mg O system

International Nuclear Information System (INIS)

El-Molla, S. A.; Ismail, S. A.; Ibrahim, M. M.

2011-01-01

0.2 Cu O/Mg O system prepared by impregnation method was calcined at 350 and 450 C. The effects of γ-rays (0.2-1.6 MGy) on its structure, surface and catalytic properties were investigated by using XRD, N 2 -adsorption at -196 C and catalytic conversion of isopropanol at 150-275 C using a flow technique. The results revealed that the investigated solids consisted of nano-sized Mg O as a major phase besides Cu O and trace amount of Cu 2 O. γ-Irradiation of the solids investigated exerted measurable changes in their surface and catalytic properties dependent on the calcination temperature and dose of irradiation. The catalysts investigated acted as active dehydrogenation solids. The five years-ageing of different solids showed limited changes of their surface and catalytic properties indicating a good catalytic stability of the irradiated prepared solids. (Author)

Effects of {gamma}-irradiation and ageing on surface and catalytic properties of nano-sized Cu O/Mg O system

Energy Technology Data Exchange (ETDEWEB)

El-Molla, S. A. [Ain Shams University, Faculty of Education, Chemistry Deparment, Roxy, Heliopolis, 11757 Cairo (Egypt); Ismail, S. A.; Ibrahim, M. M., E-mail: saharelmolla@yahoo.com [National Center for Radiation Research and Technology, Nasr City, P.O. Box 29, 11731 Cairo (Egypt)

2011-07-01

0.2 Cu O/Mg O system prepared by impregnation method was calcined at 350 and 450 C. The effects of {gamma}-rays (0.2-1.6 MGy) on its structure, surface and catalytic properties were investigated by using XRD, N{sub 2}-adsorption at -196 C and catalytic conversion of isopropanol at 150-275 C using a flow technique. The results revealed that the investigated solids consisted of nano-sized Mg O as a major phase besides Cu O and trace amount of Cu{sub 2}O. {gamma}-Irradiation of the solids investigated exerted measurable changes in their surface and catalytic properties dependent on the calcination temperature and dose of irradiation. The catalysts investigated acted as active dehydrogenation solids. The five years-ageing of different solids showed limited changes of their surface and catalytic properties indicating a good catalytic stability of the irradiated prepared solids. (Author)

40 CFR Table 17 to Subpart Uuu of... - Continuous Monitoring Systems for Organic HAP Emissions From Catalytic Reforming Units

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Continuous Monitoring Systems for Organic HAP Emissions From Catalytic Reforming Units 17 Table 17 to Subpart UUU of Part 63 Protection of... Organic HAP Emissions From Catalytic Reforming Units As stated in § 63.1566(b)(1), you shall meet each...

40 CFR Table 10 to Subpart Uuu of... - Continuous Monitoring Systems for Organic HAP Emissions From Catalytic Cracking Units

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Continuous Monitoring Systems for Organic HAP Emissions From Catalytic Cracking Units 10 Table 10 to Subpart UUU of Part 63 Protection of... Organic HAP Emissions From Catalytic Cracking Units As stated in § 63.1565(b)(1), you shall meet each...

Catalytic conversion of corncob and corncob pretreatment hydrolysate to furfural in a biphasic system with addition of sodium chloride.

Science.gov (United States)

Qing, Qing; Guo, Qi; Zhou, Linlin; Wan, Yilun; Xu, Youqing; Ji, Huilong; Gao, Xiaohang; Zhang, Yue

2017-02-01

Catalytic conversion of corncob pretreatment hydrolysate and raw corncob into furfural in a modified biphasic system by SO 4 2- /SnO 2 - MMT solid catalyst has been developed. The influence of the organic solvent type, organic to water phase ratio, sodium chloride concentration, reaction temperature and time on the furfural production were comparatively evaluated. The results showed that furfural yields of 81.7% and 66.1% were achieved at 190°C for 15mins and 190°C for 20mins, respectively, for corncob pretreatment hydrolysate and raw corncob by this solid catalyst. The solid catalyst used in this study exhibited good stability and high efficiency applied in the modified biphasic system in addition to excellent recyclability. The proposed catalytic system displayed high performance for catalytic conversion of lignocellulosic biomass into important platform chemicals and has great potential in industrial application. Copyright © 2016 Elsevier Ltd. All rights reserved.

Highly Efficient Catalytic Cyclic Carbonate Formation by Pyridyl Salicylimines.

Science.gov (United States)

Subramanian, Saravanan; Park, Joonho; Byun, Jeehye; Jung, Yousung; Yavuz, Cafer T

2018-03-21

Cyclic carbonates as industrial commodities offer a viable nonredox carbon dioxide fixation, and suitable heterogeneous catalysts are vital for their widespread implementation. Here, we report a highly efficient heterogeneous catalyst for CO 2 addition to epoxides based on a newly identified active catalytic pocket consisting of pyridine, imine, and phenol moieties. The polymeric, metal-free catalyst derived from this active site converts less-reactive styrene oxide under atmospheric pressure in quantitative yield and selectivity to the corresponding carbonate. The catalyst does not need additives, solvents, metals, or co-catalysts, can be reused at least 10 cycles without the loss of activity, and scaled up easily to a kilogram scale. Density functional theory calculations reveal that the nucleophilicity of pyridine base gets stronger due to the conjugated imines and H-bonding from phenol accelerates the reaction forward by stabilizing the intermediate.

Catalytic biorefining of plant biomass to non-pyrolytic lignin bio-oil and carbohydrates through hydrogen transfer reactions.

Science.gov (United States)

Ferrini, Paola; Rinaldi, Roberto

2014-08-11

Through catalytic hydrogen transfer reactions, a new biorefining method results in the isolation of depolymerized lignin--a non-pyrolytic lignin bio-oil--in addition to pulps that are amenable to enzymatic hydrolysis. Compared with organosolv lignin, the lignin bio-oil is highly susceptible to further hydrodeoxygenation under low-severity conditions and therefore establishes a unique platform for lignin valorization by heterogeneous catalysis. Overall, the potential of a catalytic biorefining method designed from the perspective of lignin utilization is reported. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Catalytic applications of calcium rich waste materials for biodiesel: Current state and perspectives

International Nuclear Information System (INIS)

Shan, Rui; Zhao, Che; Lv, Pengmei; Yuan, Haoran; Yao, Jingang

2016-01-01

Highlights: • This review presents information related to waste derived Ca-based catalysts. • The materials described include eggshells, mollusk shells, bones, and so on. • The mechanism, future challenges and prospects of those catalysts are discussed. - Abstract: The synthesis of heterogeneous catalysts from waste materials has become increasingly popular over the past two decades. Among them, Ca-based catalysts have widely been tested in the transesterification reaction because of their relatively high catalytic activity and the large amount of feedstock (calcium rich waste materials) available. Those Ca-based catalysts can be simply prepared via the high temperature calcination and using these waste materials to generate the catalyst in addition to the target product makes the system more cost effective and environmentally friendly. This review presents general information related to the recent progress in the development of various Ca-based catalysts derived from waste materials for biodiesel production. The materials described include eggshells, mollusk shells, bones, large-scale industrial wastes and so on. Meanwhile, based on this collection of data and information, the catalytic activity mechanism, future challenges and prospects of renewable resources derived catalysts are also discussed.

Session 4: Combinatorial research of methane catalytic decomposition on supported nitride catalysts for CO-free hydrogen

Energy Technology Data Exchange (ETDEWEB)

Jianghan, Shen; Hua, Wang; Zhongmin, Liu; Hongchao, Liu [Natural Gas Utilization and Applied Catalysis Lab., Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian P. R. (China)

2004-07-01

CO-free Hydrogen production is needed for proton exchange membrane fuel cells (PEMs) because CO strongly poisons the anode-electrocatalysts. Methane directly catalytic decomposition is an attractive way to produce CO-free hydrogen for the large abundance of methane and its high H/C ratio. It is more effective to employ high-throughput screening (HTS) technology in heterogeneous catalysis. In this paper, a combinatorial multi-stream reaction system with online multi-stream mass spectrometer screening (MSMSS) detection technique was applied to study the decomposition of methane over supported MoN{sub x}O{sub y} catalysts (supports = Al{sub 2}O{sub 3}, SiO{sub 2}, SBA-15, ZSM-5,13X, and NaY), which is a catalyst system seldom reported recently. (authors)

The contribution of vanadium and titanium on improving methylene blue decolorization through heterogeneous UV-Fenton reaction catalyzed by their co-doped magnetite

International Nuclear Information System (INIS)

Liang, Xiaoliang; Zhong, Yuanhong; Zhu, Sanyuan; Ma, Lingya; Yuan, Peng; Zhu, Jianxi; He, Hongping; Jiang, Zheng

2012-01-01

Highlights: ► Ti-V co-doped magnetite has strong catalytic activity in UV-Fenton reaction. ► Ti 4+ is more positive to adsorption and catalytic activity of magnetite than V 3+ . ► Mechanism of substitution increasing the adsorption and catalytic activity. ► The obtained results are benefit for application of magnetite in treating wastewater. - Abstract: This study investigated the methylene blue (MB) decolorization through heterogeneous UV-Fenton reaction catalyzed by V-Ti co-doped magnetites, with emphasis on comparing the contribution of V and Ti cations on improving the adsorption and catalytic activity of magnetite. In the well crystallized spinel structure, both Ti 4+ and V 3+ occupied the octahedral sites. Ti 4+ showed a more obvious effect on increasing specific surface area and superficial hydroxyl amount than V 3+ did, resulting in a significant improvement of the adsorption ability of magnetite to MB. The UV introduction greatly accelerated MB degradation. And magnetite with more Ti and less V displayed better catalytic activity in MB degradation through heterogeneous UV-Fenton reaction. The transformation of degradation products and individual contribution from vanadium and titanium on improving adsorption and catalytic activity of magnetite were also investigated. These new insights are of high importance for well understanding the interface interaction between contaminants and metal doped magnetites, and the environmental application of natural and synthetic magnetites.

Molecular heterogeneous catalysts derived from bipyridine-based organosilica nanotubes for C–H bond activation† †Electronic supplementary information (ESI) available: Experimental details, material characterization data, catalytic measurement details. See DOI: 10.1039/c7sc00713b Click here for additional data file.

Science.gov (United States)

Zhang, Shengbo; Wang, Hua; Li, Mei; Han, Jinyu

2017-01-01

Heterogeneous metal complex catalysts for direct C–H activation with high activity and durability have always been desired for transforming raw materials into feedstock chemicals. This study described the design and synthesis of one-dimensional organosilica nanotubes containing 2,2′-bipyridine (bpy) ligands in the framework (BPy-NT) and their post-synthetic metalation to provide highly active and robust molecular heterogeneous catalysts. By adjusting the ratios of organosilane precursors, very short BPy-NT with ∼50 nm length could be controllably obtained. The post-synthetic metalation of bipyridine-functionalized nanotubes with [IrCp*Cl(μ-Cl)]2 (Cp* = η5-pentamethylcyclopentadienyl) and [Ir(cod)(OMe)]2 (cod = 1,5-cyclooctadiene) afforded solid catalysts, IrCp*-BPy-NT and Ir(cod)-BPy-NT, which were utilized for C–H oxidation of heterocycles and cycloalkanes as well as C–H borylation of arenes. The cut-short nanotube catalysts displayed enhanced activities and durability as compared to the analogous homogeneous catalysts and other conventional heterogeneous catalysts, benefiting from the isolated active sites as well as the fast transport of substrates and products. After the reactions, a detailed characterization of Ir-immobilized BPy-NT via TEM, SEM, nitrogen adsorption, UV/vis, XPS, and 13C CP MAS NMR indicated the molecular nature of the active species as well as stable structures of nanotube scaffolds. This study demonstrates the potential of BPy-NT with a short length as an integration platform for the construction of efficient heterogeneous catalytic systems for organic transformations. PMID:28970878

Heterogeneous Ag-TiO2-SiO2 composite materials as novel catalytic systems for selective epoxidation of cyclohexene by H2O2.

Directory of Open Access Journals (Sweden)

Xin Wang

Full Text Available TiO2-SiO2 composites were synthesized using cetyl trimethyl ammonium bromide (CTAB as the structure directing template. Self-assembly hexadecyltrimethyl- ammonium bromide TiO2-SiO2/(CTAB were soaked into silver nitrate (AgNO3 aqueous solution. The Ag-TiO2-SiO2(Ag-TS composite were prepared via a precipitation of AgBr in soaking process and its decomposition at calcination stage. Structural characterization of the materials was carried out by various techniques including X-ray diffraction (XRD, scanning electron microscopy (SEM, transmission electron microscopy (TEM, N2 adsorption-desorption and ultraviolet visible spectroscopy (UV-Vis. Characterization results revealed that Ag particles were incorporated into hierarchical TiO2-SiO2 without significantly affecting the structures of the supports. Further heating-treatment at 723 K was more favorable for enhancing the stability of the Ag-TS composite. The cyclohexene oxide was the major product in the epoxidation using H2O2 as the oxidant over the Ag-TS catalysts. Besides, the optimum catalytic activity and stability of Ag-TS catalysts were obtained under operational conditions of calcined at 723 K for 2 h, reaction time of 120 min, reaction temperature of 353 K, catalyst amount of 80 mg, aqueous H2O2 (30 wt.% as oxidant and chloroform as solvent. High catalytic activity with conversion rate up to 99.2% of cyclohexene oxide could be obtainable in water-bathing. The catalyst was found to be stable and could be reused three times without significant loss of catalytic activity under the optimized reaction conditions.

The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems

Science.gov (United States)

Yongqiang; Baojiao; Jianfeng

1997-07-01

In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.

Multiscale decomposition for heterogeneous land-atmosphere systems

Science.gov (United States)

Liu, Shaofeng; Shao, Yaping; Hintz, Michael; Lennartz-Sassinek, Sabine

2015-02-01

The land-atmosphere system is characterized by pronounced land surface heterogeneity and vigorous atmospheric turbulence both covering a wide range of scales. The multiscale surface heterogeneities and multiscale turbulent eddies interact nonlinearly with each other. Understanding these multiscale processes quantitatively is essential to the subgrid parameterizations for weather and climate models. In this paper, we propose a method for surface heterogeneity quantification and turbulence structure identification. The first part of the method is an orthogonal transform in the probability density function (PDF) domain, in contrast to the orthogonal wavelet transforms which are performed in the physical space. As the basis of the whole method, the orthogonal PDF transform (OPT) is used to asymptotically reconstruct the original signals by representing the signal values with multilevel approximations. The "patch" idea is then applied to these reconstructed fields in order to recognize areas at the land surface or in turbulent flows that are of the same characteristics. A patch here is a connected area with the same approximation. For each recognized patch, a length scale is then defined to build the energy spectrum. The OPT and related energy spectrum analysis, as a whole referred to as the orthogonal PDF decomposition (OPD), is applied to two-dimensional heterogeneous land surfaces and atmospheric turbulence fields for test. The results show that compared to the wavelet transforms, the OPD can reconstruct the original signal more effectively, and accordingly, its energy spectrum represents the signal's multiscale variation more accurately. The method we propose in this paper is of general nature and therefore can be of interest for problems of multiscale process description in other geophysical disciplines.

Molecular-Level Design of Heterogeneous Chiral Catalysis

International Nuclear Information System (INIS)

Zaera, Francisco

2012-01-01

The following is a proposal to continue our multi-institutional research on heterogeneous chiral catalysis. Our team combines the use of surface-sensitive analytical techniques for the characterization of model systems with quantum and statistical mechanical calculations to interpret experimental data and guide the design of future research. Our investigation focuses on the interrelation among the three main mechanisms by which enantioselectivity can be bestowed to heterogeneous catalysts, namely: (1) by templating chirality via the adsorption of chiral supramolecular assemblies, (2) by using chiral modifiers capable of forming chiral complexes with the reactant and force enantioselective surface reactions, and (3) by forming naturally chiral surfaces using imprinting chiral agents. Individually, the members of our team are leaders in these various aspects of chiral catalysis, but the present program provides the vehicle to generate and exploit the synergies necessary to address the problem in a comprehensive manner. Our initial work has advanced the methodology needed for these studies, including an enantioselective titration procedure to identify surface chiral sites, infrared spectroscopy in situ at the interface between gases or liquids and solids to mimic realistic catalytic conditions, and DFT and Monte Carlo algorithms to simulate and understand chirality on surfaces. The next step, to be funded by the monies requested in this proposal, is to apply those methods to specific problems in chiral catalysis, including the identification of the requirements for the formation of supramolecular surface structures with enantioselective behavior, the search for better molecules to probe the chiral nature of the modified surfaces, the exploration of the transition from supramolecular to one-to-one chiral modification, the correlation of the adsorption characteristics of one-to-one chiral modifiers with their physical properties, in particular with their configuration

Modeling and simulation of diffusion-convection-reaction in heterogeneous nanochannels using OpenFOAM

NARCIS (Netherlands)

Pimpalgaonkar, H.G.; van Steijn, V.; Kreutzer, M.T.; Kleijn, C.R.; Simos, Theodore; Tsitouras, Charalambos

2016-01-01

We present a finite volume implementation of a phase field method in OpenFOAM as a tool to simulate reactive multiphase flows on heterogeneous surfaces. Using this tool, we simulate the formation and growth of a droplet due to a chemical reaction on a hydrophilic catalytic patch surrounded by a

Design And Planning Of E- Learning EnvironmentE-Education System On Heterogeneous Wireless Network Control System

Directory of Open Access Journals (Sweden)

ThandarOo

2015-06-01

Full Text Available Abstract The purpose of this research is to provide a more efficient and effective communication method between teacher and student with the use of heterogeneous network. Moreover the effective use of heterogeneous network can be emphasized. The system of e-education can develop utilizing wireless network.The e-Education system can help students to communicate with their teacher more easily and effectively using a heterogeneous wireless network system. In this wireless network system students who are blind or dumb will also be able to communicate and learn from the teacher as normal students can do. All the devices or laptops will be connected on wireless LAN. Even when the teacher is not around he will be able to help his students with their study or give instructions easily by using the mobile phone to send text or voice signal. When the teacher sends information to the dumb student it will be converted into sign language for the student to be able to understand. When the dumb student sends the information to the teacher it will be converted into text for the teacher to understand. For the blind student text instructions from the teacher will be converted into audio signal using text-to-speech conversion.Thus the performance of heterogeneous wireless network model can evaluate by using Robust Optimization Method. Therefore the e-Education systems performance improves by evaluating Robust Optimization Method.

Development of a catalytic system for gasification of wet biomass

Energy Technology Data Exchange (ETDEWEB)

Elliott, D.C.; Sealock, L.J.; Phelps, M.R.; Neuenschwander, G.G.; Hart, T.R. [Pacific Northwest Lab., Richland, WA (United States)

1993-12-31

A gasification system is under development at Pacific Northwest Laboratory that can be used with high-moisture biomass feedstocks. The system operates at 350{degrees}C and 205 atm using a liquid water phase as the processing medium. Since a pressurized system is used, the wet biomass can be fed as a slurry to the reactor without drying. Through the development of catalysts, a useful processing system has been produced. This paper includes assessment of processing test results of different catalysts. Reactor system results including batch, bench-scale continuous, and engineering-scale processing results are presented to demonstrate the applicability of this catalytic gasification system to biomass. The system has utility both for direct conversion of biomass to fuel gas or as a wastewater cleanup system for treatment of unconverted biomass from bioconversion processes. By the use of this system high conversions of biomass to fuel gas can be achieved. Medium-Btu is the primary product. Potential exists for recovery/recycle of some of the unreacted inorganic components from the biomass in the aqueous byproduct stream.

An FPGA-based heterogeneous image fusion system design method

Science.gov (United States)

Song, Le; Lin, Yu-chi; Chen, Yan-hua; Zhao, Mei-rong

2011-08-01

Taking the advantages of FPGA's low cost and compact structure, an FPGA-based heterogeneous image fusion platform is established in this study. Altera's Cyclone IV series FPGA is adopted as the core processor of the platform, and the visible light CCD camera and infrared thermal imager are used as the image-capturing device in order to obtain dualchannel heterogeneous video images. Tailor-made image fusion algorithms such as gray-scale weighted averaging, maximum selection and minimum selection methods are analyzed and compared. VHDL language and the synchronous design method are utilized to perform a reliable RTL-level description. Altera's Quartus II 9.0 software is applied to simulate and implement the algorithm modules. The contrast experiments of various fusion algorithms show that, preferably image quality of the heterogeneous image fusion can be obtained on top of the proposed system. The applied range of the different fusion algorithms is also discussed.

Heterogeneous Nucleation and Growth of Nanoparticles at Environmental Interfaces.

Science.gov (United States)

Jun, Young-Shin; Kim, Doyoon; Neil, Chelsea W

2016-09-20

water chemistry and substrate identity on heterogeneously and homogeneously formed nanoscale precipitate size dimensions and total particle volume. Using this technique, we also provided a new platform for quantitatively comparing between heterogeneous and homogeneous nucleation and growth of nanoparticles and obtaining undiscovered interfacial energies between nuclei and surfaces. In addition, nanoscale surface characterization tools, such as in situ atomic force microscopy (AFM), were utilized to support and complement our findings. With these powerful nanoscale tools, we systematically evaluated the influences of environmentally abundant (oxy)anions and cations and the properties of environmental surfaces, such as surface charge and hydrophobicity. The findings, significantly enhanced by in situ observations, can lead to a more accurate prediction of the behaviors of nanoparticles in the environment and enable better control of the physicochemical properties of nanoparticles in engineered systems, such as catalytic reactions and energy storage.

Get Beyond Limits: From Colloidal Tectonics Concept to the Engineering of Eco-Friendly Catalytic Systems

Directory of Open Access Journals (Sweden)

Loïc Leclercq

2018-05-01

Full Text Available The interactions between two or more molecules or colloidal particles can be used to obtain a variety of self-assembled systems called supramolecules or supracolloids. There is a clear, but neglected, convergence between these two fields. Indeed, the packing of molecules into colloidal or supracolloidal particles emerges as a smart solution to build an infinite variety of reversible systems with predictable properties. In this respect, the molecular building blocks are called “tectons” whereas “colloidal tectonics” describes the spontaneous formation of (supracolloidal structures using tectonic subunits. As a consequence, a bottom-up edification is allowed from tectons into (supracolloidal particles with higher degrees of organization (Graphical Abstract. These (supracolloidal systems can be very useful to obtain catalysts with tunable amphiphilic properties. In this perspective, an overview of colloidal tectonics concept is presented as well as its use for the design of new, smart, and flexible catalytic systems. Finally, the advantages of these catalytic devices are discussed and the perspective of future developments is addressed especially in the context of “green chemistry.”

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.

PKA catalytic subunit compartmentation regulates contractile and hypertrophic responses to β-adrenergic signaling

Science.gov (United States)

Yang, Jason H.; Polanowska-Grabowska, Renata K.; Smith, Jeffrey S.; Shields, Charles W.; Saucerman, Jeffrey J.

2014-01-01

β-adrenergic signaling is spatiotemporally heterogeneous in the cardiac myocyte, conferring exquisite control to sympathetic stimulation. Such heterogeneity drives the formation of protein kinase A (PKA) signaling microdomains, which regulate Ca2+ handling and contractility. Here, we test the hypothesis that the nucleus independently comprises a PKA signaling microdomain regulating myocyte hypertrophy. Spatially-targeted FRET reporters for PKA activity identified slower PKA activation and lower isoproterenol sensitivity in the nucleus (t50 = 10.60±0.68 min; EC50 = 89.00 nmol/L) than in the cytosol (t50 = 3.71±0.25 min; EC50 = 1.22 nmol/L). These differences were not explained by cAMP or AKAP-based compartmentation. A computational model of cytosolic and nuclear PKA activity was developed and predicted that differences in nuclear PKA dynamics and magnitude are regulated by slow PKA catalytic subunit diffusion, while differences in isoproterenol sensitivity are regulated by nuclear expression of protein kinase inhibitor (PKI). These were validated by FRET and immunofluorescence. The model also predicted differential phosphorylation of PKA substrates regulating cell contractility and hypertrophy. Ca2+ and cell hypertrophy measurements validated these predictions and identified higher isoproterenol sensitivity for contractile enhancements (EC50 = 1.84 nmol/L) over cell hypertrophy (EC50 = 85.88 nmol/L). Over-expression of spatially targeted PKA catalytic subunit to the cytosol or nucleus enhanced contractile and hypertrophic responses, respectively. We conclude that restricted PKA catalytic subunit diffusion is an important PKA compartmentation mechanism and the nucleus comprises a novel PKA signaling microdomain, insulating hypertrophic from contractile β-adrenergic signaling responses. PMID:24225179

Study of the dynamics of the MoO2-Mo2C system for catalytic partial oxidation reactions

Science.gov (United States)

Cuba Torres, Christian Martin

On a global scale, the energy demand is largely supplied by the combustion of non-renewable fossil fuels. However, their rapid depletion coupled with environmental and sustainability concerns are the main drivers to seek for alternative energetic strategies. To this end, the sustainable generation of hydrogen from renewable resources such as biodiesel would represent an attractive alternative solution to fossil fuels. Furthermore, hydrogen's lower environmental impact and greater independence from foreign control make it a strong contender for solving this global problem. Among a wide variety of methods for hydrogen production, the catalytic partial oxidation offers numerous advantages for compact and mobile fuel processing systems. For this reaction, the present work explores the versatility of the Mo--O--C catalytic system under different synthesis methods and reforming conditions using methyl oleate as a surrogate biodiesel. MoO2 exhibits good catalytic activity and exhibits high coke-resistance even under reforming conditions where long-chain oxygenated compounds are prone to form coke. Moreover, the lattice oxygen present in MoO2 promotes the Mars-Van Krevelen mechanism. Also, it is introduced a novel beta-Mo2C synthesis by the in-situ formation method that does not utilize external H2 inputs. Herein, the MoO 2/Mo2C system maintains high catalytic activity for partial oxidation while the lattice oxygen serves as a carbon buffer for preventing coke formation. This unique feature allows for longer operation reforming times despite slightly lower catalytic activity compared to the catalysts prepared by the traditional temperature-programmed reaction method. Moreover, it is demonstrated by a pulse reaction technique that during the phase transformation of MoO2 to beta-Mo2C, the formation of Mo metal as an intermediate is not responsible for the sintering of the material wrongly assumed by the temperature-programmed method.

Pd@[nBu₄][Br] as a Simple Catalytic System for N-Alkylation Reactions with Alcohols.

Science.gov (United States)

Cacciuttolo, Bastien; Pascu, Oana; Aymonier, Cyril; Pucheault, Mathieu

2016-08-10

Palladium nanoparticles, simply and briefly generated in commercial and cheap onium salts using supercritical carbon dioxide, have been found to be an effective catalytic system for additive free N-alkylation reaction using alcohols via cascade oxidation/condensation/reduction steps.

A MODEL OF HETEROGENEOUS DISTRIBUTED SYSTEM FOR FOREIGN EXCHANGE PORTFOLIO ANALYSIS

Directory of Open Access Journals (Sweden)

Dragutin Kermek

2006-06-01

Full Text Available The paper investigates the design of heterogeneous distributed system for foreign exchange portfolio analysis. The proposed model includes few separated and dislocated but connected parts through distributed mechanisms. Making system distributed brings new perspectives to performance busting where software based load balancer gets very important role. Desired system should spread over multiple, heterogeneous platforms in order to fulfil open platform goal. Building such a model incorporates different patterns from GOF design patterns, business patterns, J2EE patterns, integration patterns, enterprise patterns, distributed design patterns to Web services patterns. The authors try to find as much as possible appropriate patterns for planned tasks in order to capture best modelling and programming practices.

Optimizing structure of complex technical system by heterogeneous vector criterion in interval form

Science.gov (United States)

Lysenko, A. V.; Kochegarov, I. I.; Yurkov, N. K.; Grishko, A. K.

2018-05-01

The article examines the methods of development and multi-criteria choice of the preferred structural variant of the complex technical system at the early stages of its life cycle in the absence of sufficient knowledge of parameters and variables for optimizing this structure. The suggested methods takes into consideration the various fuzzy input data connected with the heterogeneous quality criteria of the designed system and the parameters set by their variation range. The suggested approach is based on the complex use of methods of interval analysis, fuzzy sets theory, and the decision-making theory. As a result, the method for normalizing heterogeneous quality criteria has been developed on the basis of establishing preference relations in the interval form. The method of building preferential relations in the interval form on the basis of the vector of heterogeneous quality criteria suggest the use of membership functions instead of the coefficients considering the criteria value. The former show the degree of proximity of the realization of the designed system to the efficient or Pareto optimal variants. The study analyzes the example of choosing the optimal variant for the complex system using heterogeneous quality criteria.

Catalytic burners in larger boiler appliances

Energy Technology Data Exchange (ETDEWEB)

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

2009-02-15

boiler design to benefit from all advantages provided by catalytic combustion. Such work will include design and construction of an innovative boiler system, in the effect segment of 100- 200 kWt. The boiler system will then be evaluated with Catator's catalytic burner technology

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

Energy Technology Data Exchange (ETDEWEB)

Doughty, Benjamin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Goverapet Srinivasan, Sriram [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Indian Inst. of Technology (IIT), Rajasthan (India); Bryantsev, Vyacheslav S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Dongkyu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Ho Nyung [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ma, Ying-Zhong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lutterman, Daniel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-06-12

The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments, and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO₂ catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO₂ (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.

Consensus of heterogeneous multi-agent systems based on sampled data with a small sampling delay

International Nuclear Information System (INIS)

Wang Na; Wu Zhi-Hai; Peng Li

2014-01-01

In this paper, consensus problems of heterogeneous multi-agent systems based on sampled data with a small sampling delay are considered. First, a consensus protocol based on sampled data with a small sampling delay for heterogeneous multi-agent systems is proposed. Then, the algebra graph theory, the matrix method, the stability theory of linear systems, and some other techniques are employed to derive the necessary and sufficient conditions guaranteeing heterogeneous multi-agent systems to asymptotically achieve the stationary consensus. Finally, simulations are performed to demonstrate the correctness of the theoretical results. (interdisciplinary physics and related areas of science and technology)

Palladium Nanoparticle-Loaded Cellulose Paper: A Highly Efficient, Robust, and Recyclable Self-Assembled Composite Catalytic System.

Science.gov (United States)

Zheng, Guangchao; Kaefer, Katharina; Mourdikoudis, Stefanos; Polavarapu, Lakshminarayana; Vaz, Belén; Cartmell, Samantha E; Bouleghlimat, Azzedine; Buurma, Niklaas J; Yate, Luis; de Lera, Ángel R; Liz-Marzán, Luis M; Pastoriza-Santos, Isabel; Pérez-Juste, Jorge

2015-01-15

We present a novel strategy based on the immobilization of palladium nanoparticles (Pd NPs) on filter paper for development of a catalytic system with high efficiency and recyclability. Oleylamine-capped Pd nanoparticles, dispersed in an organic solvent, strongly adsorb on cellulose filter paper, which shows a great ability to wick fluids due to its microfiber structure. Strong van der Waals forces and hydrophobic interactions between the particles and the substrate lead to nanoparticle immobilization, with no desorption upon further immersion in any solvent. The prepared Pd NP-loaded paper substrates were tested for several model reactions such as the oxidative homocoupling of arylboronic acids, the Suzuki cross-coupling reaction, and nitro-to-amine reduction, and they display efficient catalytic activity and excellent recyclability and reusability. This approach of using NP-loaded paper substrates as reusable catalysts is expected to open doors for new types of catalytic support for practical applications.

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.

Selective catalytic reduction system and process for control of NO.sub.x emissions in a sulfur-containing gas stream

Science.gov (United States)

Sobolevskiy, Anatoly

2015-08-11

An exhaust gas treatment process, apparatus, and system for reducing the concentration of NOx, CO and hydrocarbons in a gas stream, such as an exhaust stream (29), via selective catalytic reduction with ammonia is provided. The process, apparatus and system include a catalytic bed (32) having a reducing only catalyst portion (34) and a downstream reducing-plus-oxidizing portion (36). Each portion (34, 36) includes an amount of tungsten. The reducing-plus-oxidizing catalyst portion (36) advantageously includes a greater amount of tungsten than the reducing catalyst portion (36) to markedly limit ammonia salt formation.

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.

Data and Network Science for Noisy Heterogeneous Systems

Science.gov (United States)

Rider, Andrew Kent

2013-01-01

Data in many growing fields has an underlying network structure that can be taken advantage of. In this dissertation we apply data and network science to problems in the domains of systems biology and healthcare. Data challenges in these fields include noisy, heterogeneous data, and a lack of ground truth. The primary thesis of this work is that…

Catalytic activity of Co/SiO2 and Co/TiO2 nanosized systems in the oxidation of carbon monoxide

Science.gov (United States)

Kelyp, A. A.; Smirnova, N. P.; Oleksenko, L. P.; Lutsenko, L. V.; Oranskaya, E. I.; Ripko, A. P.

2013-06-01

The effects of the preparation procedure, active component concentration, and conditions of formation of nanosized cobalt-containing systems based on TiO2 and SiO2 mesoporous powders on their catalytic activity in the oxidation of carbon monoxide were studied. The active phase in the systems was cobalt spinel CoCo2O4 found in all samples. High catalytic activity was found in the samples characterized by relatively high contents of surface active centers (cobalt cations with octahedral surroundings).

Interference Mitigation for Coexistence of Heterogeneous Ultra-Wideband Systems

Directory of Open Access Journals (Sweden)

Wu Haitao

2006-01-01

Full Text Available Two ultra-wideband (UWB specifications, that is, direct-sequence (DS UWB and multiband-orthogonal frequency division multiplexing (MB-OFDM UWB, have been proposed as the candidates of the IEEE 802.15.3a, competing for the standard of high-speed wireless personal area networks (WPAN. Due to the withdrawal of the standardization process, the two heterogeneous UWB technologies will coexist in the future commercial market. In this paper, we investigate the mutual interference of such coexistence scenarios by physical layer Monte Carlo simulations. The results reveal that the coexistence severely degrades the performance of both UWB systems. Moreover, such interference is asymmetric due to the heterogeneity of the two systems. Therefore, we propose the goodput-oriented utility-based transmit power control (GUTPC algorithm for interference mitigation. The feasible condition and the convergence property of GUTPC are investigated, and the choice of the coefficients is discussed for fairness and efficiency. Numerical results demonstrate that GUTPC improves the goodput of the coexisting systems effectively and fairly with saved power.

Heterogeneous inhibition of the liquid phase oxidation of hydrocarbons by molybdenum compounds

Energy Technology Data Exchange (ETDEWEB)

Tavadyan, L.A.; Karapetyan, A.P.; Madatovyan, V.M.

1988-05-01

The heterogeneous action of molybdenum compounds: MoB, MoSe/sub 2/, MoSi/sub 2/, Mo/sub 2/C, MoO/sub 3/, Mo on the oxidation of n-decane, ethylbenzene, and nonene-1 has been investigated. A parameter representing the inhibiting effect of the heterogeneous catalyst was calculated theoretically. It was found that NoB, MoSe/sub 2/, and MoSi/sub 2/ inhibited the oxidation of n-decane at 408 K while the remaining heterogeneous contacts catalyzed it. A critical phenomenon was detected in the inhibition by MoSi/sub 2/. All the molybdenum compounds investigated inhibited the oxidation of ethylbenzene at 393 K owing to the formation of phenol by catalytic decomposition of the hydroperoxide. The liquid phase oxidation autoinhibited by phenol is described theoretically.

Two stage catalytic converter system to reduce exhaust emissions of HC, CO and NO in a motor vehicle

Energy Technology Data Exchange (ETDEWEB)

Nagalingam, B; Gopalakrishnan, K V; Murthy, B S

1978-09-01

Two-stage catalytic converter system is currently receiving considerable attention as a means to control the primary pollutants, namely, HC, CO and NO in the automobile exhaust. In order to explore the possibility of developing catalysts from indigenous and inexpensive sources of materials, sponge iron for NO reduction and manganese ore pebbles for HC/CO oxidation were tested as candidate-catalysts in an engine dynamometer test bed to study their catalytic activity. The results of these experiments are reported.

Analysis and optimisation of heterogeneous real-time embedded systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

2005-01-01

. The success of such new design methods depends on the availability of analysis and optimisation techniques. Analysis and optimisation techniques for heterogeneous real-time embedded systems are presented in the paper. The authors address in more detail a particular class of such systems called multi...... of application messages to frames. Optimisation heuristics for frame packing aimed at producing a schedulable system are presented. Extensive experiments and a real-life example show the efficiency of the frame-packing approach....

Analysis and optimisation of heterogeneous real-time embedded systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

2006-01-01

. The success of such new design methods depends on the availability of analysis and optimisation techniques. Analysis and optimisation techniques for heterogeneous real-time embedded systems are presented in the paper. The authors address in more detail a particular class of such systems called multi...... of application messages to frames. Optimisation heuristics for frame packing aimed at producing a schedulable system are presented. Extensive experiments and a real-life example show the efficiency of the frame-packing approach....

Analysis and Optimization of Heterogeneous Real-Time Embedded Systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

2005-01-01

. The success of such new design methods depends on the availability of analysis and optimization techniques. In this paper, we present analysis and optimization techniques for heterogeneous real-time embedded systems. We address in more detail a particular class of such systems called multi-clusters, composed...... to frames. Optimization heuristics for frame packing aiming at producing a schedulable system are presented. Extensive experiments and a real-life example show the efficiency of the frame-packing approach....

Investigation into reaction of heterogenous isotopic exchange with gaseoUs tritium in solution for preparation labelled lipid compounds

International Nuclear Information System (INIS)

Shevchenko, V.P.; Myasoedov, N.F.

1983-01-01

The applicability of the method of heterogeneous catalytic isotopic exchange with gaseous tritium in the solution for the production of labelled lipide preparations is studied. Labelled saturated and unsaturated aliphatic acids, prostaglandins, phospholipides and sphingolipides are prepared

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.

A uniform approach for programming distributed heterogeneous computing systems.

Science.gov (United States)

Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas

2014-12-01

Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater's performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations.

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.

Kinetics of heterogeneous systems; La cinetique des milieux heterogenes

Energy Technology Data Exchange (ETDEWEB)

Deniz, V [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1967-07-01

In this report, a general transport theory treatment is presented for the kinetics study as applied to finite heterogeneous systems. The theory is applicable to experiments near the critical point as well as to pulsed neutron experiments on multiplying or non-multiplying lattices. The general method is also applied to exponential experiments on infinite non-diverging lattices. The particularity of the present study is the explicit introduction of heterogeneity in the formulation and the search for the dependence of the parameters on the buckling of the finite medium. As a result of this, the finite medium parameters are in the first place expressed in terms of the corresponding infinite medium ones through the buckling and the anisotropic migration areas, and in the second place all the parameters are expressed as integrals only over an unit cell instead of over the whole pile. A preliminary less detailed study is first made in order to distinguish clearly between what are called 'dynamic parameters' and 'static parameters', and to define the meanings given in this report to these two terms. In the appendices are given approximate one-group treatments for the study of the dynamic fine structure, the time constant in infinite lattices, and the anisotropic diffusion coefficients in non-multiplying lattices. (author) [French] On presente dans ce rapport une methode generale, utilisant la theorie du transport pour l'etude de la cinetique des milieux finis heterogenes. La theorie est applicable aussi bien aux experiences pres de la criticite qu'aux experiences par sources pulsees de neutrons sur des reseaux multiplicateurs ou non-multiplicateurs. La methode generale est aussi appliquee aux experiences exponentielles sur des reseaux infinis non-divergents. La particularite de l'etude est l'introduction explicite de l'heterogeneite dans la formulation et la recherche de la dependance des parametres par rapport au laplacien du reseau fini. Il en resulte d'une part que les

Technical notes. Rational approximations for cross-section space-shielding in doubly heterogeneous systems

International Nuclear Information System (INIS)

Stamatelatos, M.G.

1976-01-01

A simple yet accurate method of space-shielding cross sections in a doubly heterogeneous high-temperature gas-cooled reactor (HTGR) system using collision probabilities and rational approximations is presented. Unlike other more elaborate methods, this method does not require point-wise cross sections that are not explicitly generated in most popular cross-section codes. Consequently, this method makes double heterogeneity space-shielding possible for cross-section codes that do not proceed via point-wise cross sections and that usually allow only for single (fuel-rod) heterogeneity cross-section space-shielding. Results of calculations based on this method compare well with results of calculations based on more elaborate methods using point-wise cross sections. Moreover, the systematic trend of the difference between the results from this method and those from the more elaborate methods used for comparison supports the already existent opinion that the latter methods tend to overestimate the space-shielding cross-section correction in doubly heterogeneous HTGR systems

Catalytic Transfer Hydrogenation of Furfural to Furfuryl Alcohol over Nitrogen-Doped Carbon-Supported Iron Catalysts.

Science.gov (United States)

Li, Jiang; Liu, Jun-Ling; Zhou, Hong-Jun; Fu, Yao

2016-06-08

Iron-based heterogeneous catalysts, which were generally prepared by pyrolysis of iron complexes on supports at elevated temperature, were found to be capable of catalyzing the transfer hydrogenation of furfural (FF) to furfuryl alcohol (FFA). The effects of metal precursor, nitrogen precursor, pyrolysis temperature, and support on catalytic performance were examined thoroughly, and a comprehensive study of the reaction parameters was also performed. The highest selectivity of FFA reached 83.0 % with a FF conversion of 91.6 % under the optimal reaction condition. Catalyst characterization suggested that iron cations coordinated by pyridinic nitrogen functionalities were responsible for the enhanced catalytic activity. The iron catalyst could be recycled without significant loss of catalytic activity for five runs, and the destruction of the nitrogen-iron species, the presence of crystallized Fe2 O3 phase, and the pore structure change were the main reasons for catalyst deactivation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Simple, Effective Synthesis of Highly Dispersed Pd/C and CoPd/C Heterogeneous Catalysts via Charge-Enhanced Dry Impregnation

Directory of Open Access Journals (Sweden)

Lawrence D’Souza

2016-05-01

Full Text Available Pd/C and CoPd/C heterogeneous catalysts have been synthesized by adopting Charge Enhanced Dry Impregnation (CEDI. The particles size distribution, their high metal surface-to-bulk ratios, and synthesis feasibility are unmatchable to any known noble metal bimetallic heterogeneous catalyst preparation techniques. Next generation Fuel Cells and Fischer-Tropsch catalytic processes economy will be benefited from the proposed methodology.

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

Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

Directory of Open Access Journals (Sweden)

Yongki Choi

2011-12-01

Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

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 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

Non-Enzymatic biopolymerization reactions supported by heterogeneous media

DEFF Research Database (Denmark)

Monnard, Pierre-Alain

2011-01-01

Heterogeneous media, such as micro-structured aqueous environments, could offer an alternative approach to the synthesis of biopolymers with novel functions. Structured media are here defined as specialized, self-assembled structures that are formed, e.g, by amphiphiles, such as liposomes, emulsion...... compartments and lipid-bilayer lattices. Another kind of media is represented by co-existing, self-assembled phases in the reaction medium, e.g., in water-ice matrices. These media have the capacity to assemble chemical molecules or complex catalytic assemblies into unique configurations that are unstable...

Member Heterogeneity in Agricultural Cooperatives: A Systems-Theoretic Perspective

Directory of Open Access Journals (Sweden)

Constantine Iliopoulos

2018-04-01

Full Text Available All over the globe, cooperatives are plagued by pervasive member heterogeneity problems that are induced by the radical and dynamic changes in the business environment. Most current solutions to these problems emphasize strengthening member loyalty and commitment. Yet, many of these solutions are symptomatic rather than fundamental. Searching for fundamental solutions, this paper draws on the Luhmannian system-environment paradigm. Bringing this paradigm to bear on the cooperative scholarship, the paper views cooperatives as operationally closed systems maintaining a precarious relationship to their outer environment, which includes cooperative members. In view of their operational closure, cooperatives tend to overstrain the carrying capacity of their environment by being active in the areas marked by a limited extent of the true commonness of member interests. This overstraining results in a host of problems associated with member heterogeneity. The fundamental solutions following from the system-environment paradigm require the adjustment of cooperative boundaries and goals in light of the evolving range of the true common interests of members. In terms of methodology, we review the extant literature, synthesize the main elements of the system-environment approach and conduct a meta-analysis of case studies and other empirical research to highlight our theoretical arguments.

Zeolite-Y entrapped Ru(III and Fe(III complexes as heterogeneous catalysts for catalytic oxidation of cyclohexane reaction

Directory of Open Access Journals (Sweden)

Chetan K. Modi

2017-02-01

Full Text Available Catalysis is probably one of the greatest contributions of chemistry to both economic growth and environmental protection. Herein we report the catalytic behavior of zeolite-Y entrapped Ru(III and Fe(III complexes with general formulae [M(VTCH2·2H2O]+-Y and [M(VFCH2·2H2O]+-Y [where, VTCH = vanillin thiophene-2-carboxylic hydrazone and VFCH = vanillin furoic-2-carboxylic hydrazone] over the oxidation of cyclohexane forming cyclohexanone and cyclohexanol. The samples were corroborated by various physico-chemical techniques. These zeolite-Y based complexes are stable and recyclable under current reaction conditions. Amongst them, [Ru(VTCH2⋅2H2O]+-Y showed higher catalytic activity (41.1% with cyclohexanone (84.6% selectivity.

I2-SDS-H2O System: A highly Efficient Dual Catalytic Green System for Deprotection of Imines and in Situ Preparation of Bis(indolyl)alkanes from Indoles in Water.

Science.gov (United States)

Hazarika, Parasa; Pahari, Pallab; Borah, Manash Jyoti; Konwar, Dilip

2012-01-01

A novel catalytic system consisting of I2-SDS-H2O has been developed which cleaves 2,3-diaza-1,3-butadiene, 1-aza-1,3-butadienes, oximes and in presence of indoles in the medium uses the corresponding aldehyde products to produce bis(indolyl)alkanes in situ. This one pot simple and mild dual catalytic system works in water at room temperature under neutral conditions.

Modified silica-based heterogeneous catalysts for etherification of glycerol

Energy Technology Data Exchange (ETDEWEB)

Gholami, Zahra, E-mail: zahra.gholami@petronas.com.my [Centralized Analytical Laboratory, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Abdullah, Ahmad Zuhairi, E-mail: chzuhairi@usm.my; Gholami, Fatemeh, E-mail: fgholami59@gmail.com [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus,14300 Nibong Tebal, Penang (Malaysia); Vakili, Mohammadtaghi, E-mail: farshid3601@gmail.com [School of Industrial Technology, Universiti Sains Malaysia, 11800 Penang (Malaysia)

2015-07-22

The advent of mesoporous silicas such as MCM-41 has provided new opportunities for research into supported metal catalysis. The loading of metals into framework structures and particularly into the pores of porous molecular sieves, has long been of interest because of their potential catalytic activity. Stable heterogeneous mesoporous basic catalysts were synthesized by wet impregnation of MCM-41 with calcium nitrate and lanthanum nitrate. The surface and structural properties of the prepared catalysts were characterized using BET surface analysis, SEM and TEM. MCM-41 and modified MCM-41 were used in the solventless etherification of glycerol to produce diglycerol as the desired product. The reaction was performed at 250 °C for 8 h, and catalyst activity was evaluated. Catalytic etherification over the 20%Ca{sub 1.6}La{sub 0.6}/MCM-41 catalyst resulted in the highest glycerol conversion of 91% and diglycerol yield of 43%.

Modified silica-based heterogeneous catalysts for etherification of glycerol

International Nuclear Information System (INIS)

Gholami, Zahra; Abdullah, Ahmad Zuhairi; Gholami, Fatemeh; Vakili, Mohammadtaghi

2015-01-01

The advent of mesoporous silicas such as MCM-41 has provided new opportunities for research into supported metal catalysis. The loading of metals into framework structures and particularly into the pores of porous molecular sieves, has long been of interest because of their potential catalytic activity. Stable heterogeneous mesoporous basic catalysts were synthesized by wet impregnation of MCM-41 with calcium nitrate and lanthanum nitrate. The surface and structural properties of the prepared catalysts were characterized using BET surface analysis, SEM and TEM. MCM-41 and modified MCM-41 were used in the solventless etherification of glycerol to produce diglycerol as the desired product. The reaction was performed at 250 °C for 8 h, and catalyst activity was evaluated. Catalytic etherification over the 20%Ca 1.6 La 0.6 /MCM-41 catalyst resulted in the highest glycerol conversion of 91% and diglycerol yield of 43%

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

Assessment of research needs for advanced heterogeneous catalysts for energy applications. Final report: Volume 1, Executive summary

Energy Technology Data Exchange (ETDEWEB)

Mills, G.A.

1994-04-01

This report assesses the direction, technical content, and priority of research needs judged to provide the best chance of yielding new and improved heterogeneous catalysts for energy-related applications over a period of 5--20 years. It addresses issues of energy conservation, alternate fuels and feedstocks, and the economics and applications that could alleviate pollution from energy processes. Recommended goals are defined in 3 major, closely linked research thrusts: catalytic science, environmental protection by catalysis, and industrial catalytic applications. This volume provides a comprehensive executive summary, including research recommendations.

Energy Harvesting in Heterogeneous Networks with Hybrid Powered Communication Systems

KAUST Repository

Alsharoa, Ahmad; Celik, Abdulkadir; Kamal, Ahmed E.

2018-01-01

In this paper, we investigate an energy efficient and energy harvesting (EH) system model in heterogeneous networks (HetNets) where all base stations (BSS) are equipped to harvest energy from renewable energy sources. We consider a hybrid power

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

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.

Effect of Electromagnetic Fields on Transfer Processes in Heterogeneous Systems

Czech Academy of Sciences Publication Activity Database

Levdansky, V.V.; Kim, H. Y.; Kim, H. C.; Smolík, Jiří; Moravec, Pavel

2001-01-01

Roč. 44, č. 5 (2001), s. 1065-1071 ISSN 0017-9310 Institutional research plan: CEZ:AV0Z4072921 Keywords : electromagnetic field * transfer processes * heterogeneous system Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.240, year: 2001

The Sabatier Principle Illustrated by Catalytic H2O2 Decomposition on Metal Surfaces

DEFF Research Database (Denmark)

Laursen, Anders Bo; Man, Isabela Costinela; Trinhammer, Ole

2011-01-01

Heterogeneous catalysis is important in today’s industry. Hence, it is imperative to introduce students to this field and its tools. A new way of introducing one of these tools, the Sabatier principle, via a laboratory exercise is presented. A volcano plot is constructed for the well-known hetero......Heterogeneous catalysis is important in today’s industry. Hence, it is imperative to introduce students to this field and its tools. A new way of introducing one of these tools, the Sabatier principle, via a laboratory exercise is presented. A volcano plot is constructed for the well......-known heterogeneous H2O2 catalytic decomposition reaction on various metal foils. The activity per catalyst surface area versus the computationally calculated binding energy of OH groups on the catalysts is plotted. The OH group is identified as the only surface intermediate in an intuitive reaction mechanism...

Preparation of Mn(III)-Porphyrin-Immobilized Fe{sub 3}O{sub 4}@SiO{sub 2} Mesoparticles and Their Use in Heterogeneous Catalysis of Styrene Epoxidation

Energy Technology Data Exchange (ETDEWEB)

Kim, Jun Yeol; Lee, Kyung Yeon; Kim, Sun Dol; Lee, Suk Joong [Dept. of Chemistry, Research Institute for Natural Sciences, Korea University, Seoul (Korea, Republic of)

2015-07-15

They show high stability over their homogeneous counterparts. However, traditional heterogeneous catalysts tend to be less selective for fine chemical synthesis because they usually require high operation temperature and have the nonuniformity of active sites. To overcome these problems, an emerging strategy for preparing heterogeneous catalytic systems with better selectivity and milder reaction condition comprises the immobilization of homogeneous catalysts on organic polymers and inorganic supports. We have designed and synthesized novel Mn(III)-porphyrin-immobilized core-shell magnetic mesoparticles that heterogeneously catalyze styrene to styrene oxide with remarkably high activity compared with its homogeneous counterpart. These magnetic heterogeneous catalysts can be readily separated from the reaction mixture by magnetic manipulation and used for subsequent reactions multiple times without dramatic loss of activity. This immobilization of catalysts on magnetic supports promises a great potential toward the development of new class of oxidation catalysts, and the modification of catalysts to extend their lifetime is in progress.

Pd@[nBu4][Br] as a Simple Catalytic System for N-Alkylation Reactions with Alcohols

Directory of Open Access Journals (Sweden)

Bastien Cacciuttolo

2016-08-01

Full Text Available Palladium nanoparticles, simply and briefly generated in commercial and cheap onium salts using supercritical carbon dioxide, have been found to be an effective catalytic system for additive free N-alkylation reaction using alcohols via cascade oxidation/condensation/reduction steps.

Efficient Diethylzinc/Gallic Acid and Diethylzinc/Gallic Acid Ester Catalytic Systems for the Ring-Opening Polymerization of rac-Lactide

Directory of Open Access Journals (Sweden)

Karolina Żółtowska

2015-12-01

Full Text Available Polylactide (PLA represents one of the most promising biomedical polymers due to its biodegradability, bioresorbability and good biocompatibility. This work highlights the synthesis and characterization of PLAs using novel diethylzinc/gallic acid (ZnEt2/GAc and diethylzinc/propyl gallate (ZnEt2/PGAc catalytic systems that are safe for human body. The results of the ring-opening polymerization (ROP of rac-lactide (rac-LA in the presence of zinc-based catalytic systems have shown that, depending on the reaction conditions, “predominantly isotactic”, disyndiotactic or atactic PLA can be obtained. Therefore, the controlled and stereoselective ROP of rac-LA is discussed in detail in this paper.

Catalytic oxidation of cyanides in an aqueous phase over individual and manganese-modified cobalt oxide systems

International Nuclear Information System (INIS)

Christoskova, St.; Stoyanova, M.

2009-01-01

The possibility for purification of wastewaters containing free cyanides by applying of a new method based on cyanides catalytic oxidation with air to CO 2 and N 2 at low temperature and atmospheric pressure was investigated. On this purpose, individual and modified with manganese Co-oxide systems as active phase of environmental catalysts were synthesized. The applied method of synthesis favours the preparation of oxide catalytic systems with high active oxygen content (total-O* and surface-O* s ) possessing high mobility, and the metal ions being in a high oxidation state and in an octahedral coordination-factors determining high activity in reactions of complete oxidation. The catalysts employed were characterized by powder X-ray diffraction, Infrared spectroscopy, and chemical analysis. The effect of pH of the medium and catalyst loading on the effectiveness of the cyanide oxidation process, expressed by the degree of conversion (α, %), by the rate constant (k, min -1 ), and COD was studied. The results obtained reveal that using catalysts investigated a high cyanide removal efficiency could be achieved even in strong alkaline medium. The higher activity of the manganese promoted catalytic sample could be explained on the basis of higher total active oxygen content and its higher mobility both depending on the conditions, under which the synthesis of catalyst is being carried out.

Heterogeneous gas core reactor

International Nuclear Information System (INIS)

Han, K.I.

1977-01-01

Preliminary investigations of a heterogeneous gas core reactor (HGCR) concept suggest that this potential power reactor offers distinct advantages over other existing or conceptual reactor power plants. One of the most favorable features of the HGCR is the flexibility of the power producing system which allows it to be efficiently designed to conform to a desired optimum condition without major conceptual changes. The arrangement of bundles of moderator/coolant channels in a fissionable gas or mixture of gases makes a truly heterogeneous nuclear reactor core. It is this full heterogeneity for a gas-fueled reactor core which accounts for the novelty of the heterogeneous gas core reactor concept and leads to noted significant advantages over previous gas core systems with respect to neutron and fuel economy, power density, and heat transfer characteristics. The purpose of this work is to provide an insight into the design, operating characteristics, and safety of a heterogeneous gas core reactor system. The studies consist mainly of neutronic, energetic and kinetic analyses of the power producing and conversion systems as a preliminary assessment of the heterogeneous gas core reactor concept and basic design. The results of the conducted research indicate a high potential for the heterogeneous gas core reactor system as an electrical power generating unit (either large or small), with an overall efficiency as high as 40 to 45%. The HGCR system is found to be stable and safe, under the conditions imposed upon the analyses conducted in this work, due to the inherent safety of ann expanding gaseous fuel and the intrinsic feedback effects of the gas and water coolant

[Advanced treatment of coking wastewater with a novel heterogeneous electro-Fenton technology].

Science.gov (United States)

Li, Hai-Tao; Li, Yu-Ping; Zhang, An-Yang; Cao, Hong-Bin; Li, Xin-Gang; Zhang, Yi

2011-01-01

A novel electro-catalytic reactor, with oxygen-reduction cathode (PAQ/GF), dimensionally stable anode (IrO2-RuO2 -TiO2/ Ti) and heterogeneous catalysts, is developed for advanced treatment of coking wastewater after biological process, integrating cathodic and anodic simultaneous oxidation processes. A PAQ/GF electrode was synthesized by the electro-polymerization of 2-ethyl anthraquinone on graphite felt, which was characterized with cyclic voltametry measurements; the results indicated that the PAQ/GF electrode showed high reversibility for oxidation-reduction reaction of anthraquinone and catalytic activity for O2 reduction to H2O2; 13.5 mmol/L H2O2 was obtained after electrolysis for 6 h at -0.7 V (vs. SCE) and pH 6 with a current efficiency of 50% in a membrane reactor. Fe-Cu/Y350 catalysts, prepared by impregnation method, could catalyze the production of hydroxyl radicals (*OH) from H2O2, which was confirmed both by fading reaction of crystal violet and oxidation of *OH-probe compound (p-chlorobenzoic acid); Fe-Cu/Y350 also showed high catalytic-activity for the oxidation of organics by hypochlorous sodium, because COD removal of coking wastewater reached 26% in the catalytic process while only 11% of COD removal was obtained in the absence of Fe-Cu/Y350. COD removal of coking wastewater reached 49.4% (26.0% and 23.4% in cathodic system and anodic system, respectively) in the developed electrolytic-reactor, which was higher than that of conventional cathodic-anodic-oxidation process (29.8%). At optimal reaction condition of initial COD = 192 mg/L, I = 10A x m(-2) and pH 4-5, more than 50% COD were removed after electrolysis for 1 h. The mechanism might be as follows: in cathodic system, H2O2 is generated from reduction of O2 on PAQ/GF cathode, and catalyzed by Fe-Cu/Y350 for production of *OH, which causes mineralization and degradation of organic pollutants; in anodic system, Cl2 and HClO are generated from Cl- oxidation on IrO2-RuO2-TiO2/Ti anode and the

Fast decolorization of azo methyl orange via heterogeneous Fenton and Fenton-like reactions using alginate-Fe2+/Fe3+ films as catalysts.

Science.gov (United States)

Quadrado, Rafael F N; Fajardo, André R

2017-12-01

The efficiency of Fenton and Fenton-like processes can be seriously affected by the continuous loss of iron ions and by the formation of solid sludge. Here, alginate (Alg) films were synthesized to stabilize iron ions (Fe 2+ and Fe 3+ ) and to enhance their catalytic activities towards the decolorization of methyl orange via heterogeneous Fenton and Fenton-like processes. Iron ions were ionically bond to the Alg molecules resulting in a three-dimensional network with specific structural and morphological features according to the valence states of iron. Our results demonstrated that both Alg-Fe 2+ and Alg-Fe 3+ films show highlighted catalytic activity for the decolorization of MO and high decolorization rates. Reuse experiments demonstrated that both films could be employed in at least five consecutive decolorization processes without losing their catalytic efficiency or stability. Taken together, our findings reveal that the Alg-Fe 2+ and Alg-Fe 3+ films may be suitable low-cost catalysts in heterogeneous Fenton and Fenton-like processes. Copyright © 2017 Elsevier Ltd. All rights reserved.

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.

Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts—Enabling correlative characterization techniques

Energy Technology Data Exchange (ETDEWEB)

Baier, S.; Rochet, A.; Hofmann, G. [Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, D-76131 Karlsruhe (Germany); Kraut, M. [Institute for Micro Process Engineering, Karlsruhe Institute of Technology, D-76344 Eggenstein-Leopoldshafen (Germany); Grunwaldt, J.-D., E-mail: grunwaldt@kit.edu [Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, D-76131 Karlsruhe (Germany); Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, D-76344 Eggenstein-Leopoldshafen (Germany)

2015-06-15

We report on a new modular setup on a silicon-based microreactor designed for correlative spectroscopic, scattering, and analytic on-line gas investigations for in situ studies of heterogeneous catalysts. The silicon microreactor allows a combination of synchrotron radiation based techniques (e.g., X-ray diffraction and X-ray absorption spectroscopy) as well as infrared thermography and Raman spectroscopy. Catalytic performance can be determined simultaneously by on-line product analysis using mass spectrometry. We present the design of the reactor, the experimental setup, and as a first example for an in situ study, the catalytic partial oxidation of methane showing the applicability of this reactor for in situ studies.

Heterogeneous catalytic ozonation of biologically pretreated Lurgi coal gasification wastewater using sewage sludge based activated carbon supported manganese and ferric oxides as catalysts.

Science.gov (United States)

Zhuang, Haifeng; Han, Hongjun; Hou, Baolin; Jia, Shengyong; Zhao, Qian

2014-08-01

Sewage sludge of biological wastewater treatment plant was converted into sewage sludge based activated carbon (SBAC) with ZnCl₂ as activation agent, which supported manganese and ferric oxides as catalysts (including SBAC) to improve the performance of ozonation of real biologically pretreated Lurgi coal gasification wastewater. The results indicated catalytic ozonation with the prepared catalysts significantly enhanced performance of pollutants removal and the treated wastewater was more biodegradable and less toxic than that in ozonation alone. On the basis of positive effect of higher pH and significant inhibition of radical scavengers in catalytic ozonation, it was deduced that the enhancement of catalytic activity was responsible for generating hydroxyl radicals and the possible reaction pathway was proposed. Moreover, the prepared catalysts showed superior stability and most of toxic and refractory compounds were eliminated at successive catalytic ozonation runs. Thus, the process with economical, efficient and sustainable advantages was beneficial to engineering application. Copyright © 2014 Elsevier Ltd. All rights reserved.

Heterogeneous equilibrium in mplybdenum-iodine system

International Nuclear Information System (INIS)

Klinkova, L.A.

1983-01-01

Heterogeneous equilibrium in the Mo-J system is studied to reveal regions of existence of molybdenum iodides, is studied. The investigation is performed for atomic ratio I/Mo=0.02-7.5 in the temperature range of 300-1370 K using methods of thermographic, X-ray phase, chemical and optical analyses of phases quenched after isothermal annealing. It is shown that higher molybdenum iodides (Mo1 4 , MoJ 5 , MoJ 6 ) are thermally unstable compounds and exist in the Mo-J system at low temperatures (360-490 K). Above 470 K higher iodides dissociate up to molybdenum triiodide. MoJ 3 under the pressure of iodine vapors is stable up to 970 K. Molybdenum diiodide is the product of triiodide decomposition and forms in the Mo-J system in the 700-1270 K range. At the J/Mo>>3 ratio the product of triiodide decomposition is MoJsub(2.87) which is thermally unstable up to 570 K, while in iodine atmosphere - up to 1170 K

Oxygen transport membrane system and method for transferring heat to catalytic/process reactors

Science.gov (United States)

Kelly, Sean M; Kromer, Brian R; Litwin, Michael M; Rosen, Lee J; Christie, Gervase Maxwell; Wilson, Jamie R; Kosowski, Lawrence W; Robinson, Charles

2014-01-07

A method and apparatus for producing heat used in a synthesis gas production is provided. The disclosed method and apparatus include a plurality of tubular oxygen transport membrane elements adapted to separate oxygen from an oxygen containing stream contacting the retentate side of the membrane elements. The permeated oxygen is combusted with a hydrogen containing synthesis gas stream contacting the permeate side of the tubular oxygen transport membrane elements thereby generating a reaction product stream and radiant heat. The present method and apparatus also includes at least one catalytic reactor containing a catalyst to promote the stream reforming reaction wherein the catalytic reactor is surrounded by the plurality of tubular oxygen transport membrane elements. The view factor between the catalytic reactor and the plurality of tubular oxygen transport membrane elements radiating heat to the catalytic reactor is greater than or equal to 0.5.

Oxygen transport membrane system and method for transferring heat to catalytic/process reactors

Science.gov (United States)

Kelly, Sean M.; Kromer, Brian R.; Litwin, Michael M.; Rosen, Lee J.; Christie, Gervase Maxwell; Wilson, Jamie R.; Kosowski, Lawrence W.; Robinson, Charles

2016-01-19

A method and apparatus for producing heat used in a synthesis gas production process is provided. The disclosed method and apparatus include a plurality of tubular oxygen transport membrane elements adapted to separate oxygen from an oxygen containing stream contacting the retentate side of the membrane elements. The permeated oxygen is combusted with a hydrogen containing synthesis gas stream contacting the permeate side of the tubular oxygen transport membrane elements thereby generating a reaction product stream and radiant heat. The present method and apparatus also includes at least one catalytic reactor containing a catalyst to promote the steam reforming reaction wherein the catalytic reactor is surrounded by the plurality of tubular oxygen transport membrane elements. The view factor between the catalytic reactor and the plurality of tubular oxygen transport membrane elements radiating heat to the catalytic reactor is greater than or equal to 0.5

Rare earth oxide aero- and xerogels. Tuning porosity and catalytic properties

International Nuclear Information System (INIS)

Neumann, Bjoern

2013-11-01

Heterogeneous catalysts to this day are still largely developed on the basis of trial and error. This is due to the great difficulty of creating custom-designed structures at the nanometer scale using traditional preparation methods. In the course of recent rapid developments in the material sciences, however, it has become possible to create materials with custom-designed properties from the macroscopic down into the nanometer range. The purpose of the present study was to make use of this potential for catalysis. The task was to modify the porosity and composition of selected rare earth oxides that promise well as catalysts with the goal of obtaining good results in terms of oxidative reactions and oxidative coupling. One major focus was on chemical sol-gel methods and in particular on what is referred to as the epoxide addition method. Extensive work was put into the characterisation and catalytic testing of aerogels and xerogels of pure rare earth oxides as well as of hybrid systems of rare earth oxides and aluminium oxide. Furthermore, thin xerogel films and macroporous monoliths were produced, the latter using a direct foaming method. The results of this work confirm the high potential of sol-gel chemistry for making porous materials of variable and controllable porosity and composition available for heterogeneous catalysis and creating more powerful catalysts. [de

Workload Balancing on Heterogeneous Systems: A Case Study of Sparse Grid Interpolation

KAUST Repository

Muraraşu, Alin

2012-01-01

Multi-core parallelism and accelerators are becoming common features of today’s computer systems, as they allow for computational power without sacrificing energy efficiency. Due to heterogeneity, tuning for each type of compute unit and adequate load balancing is essential. This paper proposes static and dynamic solutions for load balancing in the context of an application for visualizing high-dimensional simulation data. The application relies on the sparse grid technique for data compression. Its performance critical part is the interpolation routine used for decompression. Results show that our load balancing scheme allows for an efficient acceleration of interpolation on heterogeneous systems containing multi-core CPUs and GPUs.

Facile synthesis of three-dimensional diatomite/manganese silicate nanosheet composites for enhanced Fenton-like catalytic degradation of malachite green dye

Science.gov (United States)

Jiang, De Bin; Yuan, Yunsong; Zhao, Deqiang; Tao, Kaiming; Xu, Xuan; Zhang, Yu Xin

2018-05-01

In this work, we demonstrate a novel and simple approach for fabrication of the complex three-dimensional (3D) diatomite/manganese silicate nanosheet composite (DMSNs). The manganese silicate nanosheets are uniformly grown on the inner and outer surface of diatomite with controllable morphology using a hydrothermal method. Such structural features enlarged the specific surface area, resulting in more catalytic active sites. In the heterogeneous Fenton-like reaction, the DMSNs exhibited excellent catalytic capability for the degradation of malachite green (MG). Under optimum condition, 500 mg/L MG solution was nearly 93% decolorized at 70 min in the reaction. The presented results show an enhanced catalytic behavior of the DMSNs prepared by the low-cost natural diatomite material and simple controllable process, which indicates their potential for environmental remediation applications. [Figure not available: see fulltext.

Oxide-supported metal clusters: models for heterogeneous catalysts

International Nuclear Information System (INIS)

Santra, A K; Goodman, D W

2003-01-01

Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

Consensus of Heterogeneous Multiagent Systems with Arbitrarily Bounded Communication Delay

Directory of Open Access Journals (Sweden)

Xue Li

2017-01-01

Full Text Available This paper focuses on the consensus problem of high-order heterogeneous multiagent systems with arbitrarily bounded communication delays. Through the method of nonnegative matrices, we get a sufficient consensus condition for the systems with dynamically changing topology. The results of this paper show, even when there are arbitrarily bounded communication delays in the systems, all agents can reach a consensus no matter whether there are spanning trees for the corresponding communication graphs at any time.

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

Molecular heterogeneous catalysts derived from bipyridine-based organosilica nanotubes for C-H bond activation.

Science.gov (United States)

Zhang, Shengbo; Wang, Hua; Li, Mei; Han, Jinyu; Liu, Xiao; Gong, Jinlong

2017-06-01

Heterogeneous metal complex catalysts for direct C-H activation with high activity and durability have always been desired for transforming raw materials into feedstock chemicals. This study described the design and synthesis of one-dimensional organosilica nanotubes containing 2,2'-bipyridine (bpy) ligands in the framework (BPy-NT) and their post-synthetic metalation to provide highly active and robust molecular heterogeneous catalysts. By adjusting the ratios of organosilane precursors, very short BPy-NT with ∼50 nm length could be controllably obtained. The post-synthetic metalation of bipyridine-functionalized nanotubes with [IrCp*Cl(μ-Cl)] 2 (Cp* = η 5 -pentamethylcyclopentadienyl) and [Ir(cod)(OMe)] 2 (cod = 1,5-cyclooctadiene) afforded solid catalysts, IrCp*-BPy-NT and Ir(cod)-BPy-NT, which were utilized for C-H oxidation of heterocycles and cycloalkanes as well as C-H borylation of arenes. The cut-short nanotube catalysts displayed enhanced activities and durability as compared to the analogous homogeneous catalysts and other conventional heterogeneous catalysts, benefiting from the isolated active sites as well as the fast transport of substrates and products. After the reactions, a detailed characterization of Ir-immobilized BPy-NT via TEM, SEM, nitrogen adsorption, UV/vis, XPS, and 13 C CP MAS NMR indicated the molecular nature of the active species as well as stable structures of nanotube scaffolds. This study demonstrates the potential of BPy-NT with a short length as an integration platform for the construction of efficient heterogeneous catalytic systems for organic transformations.

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-01

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes.

Science.gov (United States)

Yang, Hui; Tang, Ming; Gross, Thilo

2015-08-21

One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

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.

Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst.

Science.gov (United States)

Cao, Xinrui; Fu, Qiang; Luo, Yi

2014-05-14

The single atom alloy of extended surfaces is known to provide remarkably enhanced catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first principles calculations that this approach can be extended to nanostructures, such as bimetallic nanoparticles. The catalytic properties of the single-Pd-doped Cu55 nanoparticles have been systemically examined for H2 dissociation as well as H atom adsorption and diffusion, following the concept of single atom alloy. It is found that doping a single Pd atom at the edge site of the Cu55 shell can considerably reduce the activation energy of H2 dissociation, while the single Pd atom doped at the top site or in the inner layers is much less effective. The H atom adsorption on Cu55 is slightly stronger than that on the Cu(111) surface; however, a larger nanoparticle that contains 147 atoms could effectively recover the weak binding of the H atoms. We have also investigated the H atom diffusion on the 55-atom nanoparticle and found that spillover of the produced H atoms could be a feasible process due to the low diffusion barriers. Our results have demonstrated that facile H2 dissociation and weak H atom adsorption could be combined at the nanoscale. Moreover, the effects of doping one more Pd atom on the H2 dissociation and H atom adsorption have also been investigated. We have found that both the doping Pd atoms in the most stable configuration could independently exhibit their catalytic activity, behaving as two single-atom-alloy catalysts.

Automated and Assistive Tools for Accelerated Code migration of Scientific Computing on to Heterogeneous MultiCore Systems

Science.gov (United States)

2017-04-13

AFRL-AFOSR-UK-TR-2017-0029 Automated and Assistive Tools for Accelerated Code migration of Scientific Computing on to Heterogeneous MultiCore Systems ...2012, “ Automated and Assistive Tools for Accelerated Code migration of Scientific Computing on to Heterogeneous MultiCore Systems .” 2. The objective...2012 - 01/25/2015 4. TITLE AND SUBTITLE Automated and Assistive Tools for Accelerated Code migration of Scientific Computing on to Heterogeneous

Recommending the heterogeneous cluster type multi-processor system computing

International Nuclear Information System (INIS)

Iijima, Nobukazu

2010-01-01

Real-time reactor simulator had been developed by reusing the equipment of the Musashi reactor and its performance improvement became indispensable for research tools to increase sampling rate with introduction of arithmetic units using multi-Digital Signal Processor(DSP) system (cluster). In order to realize the heterogeneous cluster type multi-processor system computing, combination of two kinds of Control Processor (CP) s, Cluster Control Processor (CCP) and System Control Processor (SCP), were proposed with Large System Control Processor (LSCP) for hierarchical cluster if needed. Faster computing performance of this system was well evaluated by simulation results for simultaneous execution of plural jobs and also pipeline processing between clusters, which showed the system led to effective use of existing system and enhancement of the cost performance. (T. Tanaka)

Dynamic\tmodelling of catalytic three-phase reactors for hydrogenation and oxidation processes

Directory of Open Access Journals (Sweden)

Salmi T.

2000-01-01

Full Text Available The dynamic modelling principles for typical catalytic three-phase reactors, batch autoclaves and fixed (trickle beds were described. The models consist of balance equations for the catalyst particles as well as for the bulk phases of gas and liquid. Rate equations, transport models and mass balances were coupled to generalized heterogeneous models which were solved with respect to time and space with algorithms suitable for stiff differential equations. The aspects of numerical solution strategies were discussed and the procedure was illustrated with three case studies: hydrogenation of aromatics, hydrogenation of aldehydes and oxidation of ferrosulphate. The case studies revealed the importance of mass transfer resistance inside the catalyst pallets as well as the dynamics of the different phases being present in the reactor. Reliable three-phase reactor simulation and scale-up should be based on dynamic heterogeneous models.

Using Runtime Systems Tools to Implement Efficient Preconditioners for Heterogeneous Architectures

Directory of Open Access Journals (Sweden)

Roussel Adrien

2016-11-01

Full Text Available Solving large sparse linear systems is a time-consuming step in basin modeling or reservoir simulation. The choice of a robust preconditioner strongly impact the performance of the overall simulation. Heterogeneous architectures based on General Purpose computing on Graphic Processing Units (GPGPU or many-core architectures introduce programming challenges which can be managed in a transparent way for developer with the use of runtime systems. Nevertheless, algorithms need to be well suited for these massively parallel architectures. In this paper, we present preconditioning techniques which enable to take advantage of emerging architectures. We also present our task-based implementations through the use of the HARTS (Heterogeneous Abstract RunTime System runtime system, which aims to manage the recent architectures. We focus on two preconditoners. The first is ILU(0 preconditioner implemented on distributing memory systems. The second one is a multi-level domain decomposition method implemented on a shared-memory system. Obtained results are then presented on corresponding architectures, which open the way to discuss on the scalability of such methods according to numerical performances while keeping in mind that the next step is to propose a massively parallel implementations of these techniques.

31PHOSPHO-NMR DEMONSTRATION OF PHOSPHOCYSTEINE AS A CATALYTIC INTERMEDIATE ON THE ESCHERICHIA-COLI PHOSPHOTRANSFERASE SYSTEM EIIMTL

NARCIS (Netherlands)

MEYER, GH; KRUIZINGA, WH; TAMMINGA, KS; VANWEEGHEL, RP; ROBILLARD, GT; Pas, Hendrikus

1991-01-01

The mannitol-specific phosphotransferase system transport protein, Enzyme II(Mtl), contains two catalytically important phosphorylated amino acid residues, both present on the cytoplasmic part of the enzyme. Recently, this portion has been subcloned, purified, and shown to be an enzymatically active

Investigations for the implementation of catalytic recombiners in large dry containments in Germany

International Nuclear Information System (INIS)

Rohde, J.; Tiltmann, M.; Froehmel, T.

1997-01-01

During the past few years, several concepts of mitigation have been developed and tested to limit the hydrogen concentrations in the containment atmosphere during the course of a severe accident. Extensive efforts have been given, especially in Germany and Canada, to investigate the use of catalytic recombiners. Based on the outcome of these research efforts in Germany it was recommended by the Reactor Safety Commission (RSK) in June 1994 to implement a hydrogen mitigation system, based on catalytic recombiners in large dry containments of PWR plants. Investigations are carried out at GRS, sponsored by the German Ministry of Environment, Nature Conservation and Nuclear Safety (BMU), to develop basic requirements for the implementation of a catalytic recombiner system in large dry containments. Severe accidents scenarios were calculated with the system code MELCOR to determine the mass- and energy release rates from the primary system into the containment, necessary to prepare the input data for the containment code calculations. A detailed nodalisation of the containment system of a German PWR plant (Konvoi-type) was developed for the code RA-LOC MOD4 to investigate the effectiveness of a catalytic recombiner system which consists of 53 of such devices, being distributed in the complex room arrangement. The effectiveness of such a system is demonstrated by comparing a representative severe accident sequence without and with the catalytic recombination of hydrogen. The results showed, that only in some limited areas in the containment combustible gas mixtures were formed for a limited time span and that at the end of the first day after the onset of the accident the catalytic reaction is limited due to oxygen depletion. The work is still in progress while additional severe accident sequences have to be analyzed to develop some generic guidelines for the implementation of a catalytic recombiner system in large dry containments. (author)

SPORT: An Algorithm for Divisible Load Scheduling with Result Collection on Heterogeneous Systems

Science.gov (United States)

Ghatpande, Abhay; Nakazato, Hidenori; Beaumont, Olivier; Watanabe, Hiroshi

Divisible Load Theory (DLT) is an established mathematical framework to study Divisible Load Scheduling (DLS). However, traditional DLT does not address the scheduling of results back to source (i. e., result collection), nor does it comprehensively deal with system heterogeneity. In this paper, the DLSRCHETS (DLS with Result Collection on HET-erogeneous Systems) problem is addressed. The few papers to date that have dealt with DLSRCHETS, proposed simplistic LIFO (Last In, First Out) and FIFO (First In, First Out) type of schedules as solutions to DLSRCHETS. In this paper, a new polynomial time heuristic algorithm, SPORT (System Parameters based Optimized Result Transfer), is proposed as a solution to the DLSRCHETS problem. With the help of simulations, it is proved that the performance of SPORT is significantly better than existing algorithms. The other major contributions of this paper include, for the first time ever, (a) the derivation of the condition to identify the presence of idle time in a FIFO schedule for two processors, (b) the identification of the limiting condition for the optimality of FIFO and LIFO schedules for two processors, and (c) the introduction of the concept of equivalent processor in DLS for heterogeneous systems with result collection.

Automation of multi-agent control for complex dynamic systems in heterogeneous computational network

Science.gov (United States)

Oparin, Gennady; Feoktistov, Alexander; Bogdanova, Vera; Sidorov, Ivan

2017-01-01

The rapid progress of high-performance computing entails new challenges related to solving large scientific problems for various subject domains in a heterogeneous distributed computing environment (e.g., a network, Grid system, or Cloud infrastructure). The specialists in the field of parallel and distributed computing give the special attention to a scalability of applications for problem solving. An effective management of the scalable application in the heterogeneous distributed computing environment is still a non-trivial issue. Control systems that operate in networks, especially relate to this issue. We propose a new approach to the multi-agent management for the scalable applications in the heterogeneous computational network. The fundamentals of our approach are the integrated use of conceptual programming, simulation modeling, network monitoring, multi-agent management, and service-oriented programming. We developed a special framework for an automation of the problem solving. Advantages of the proposed approach are demonstrated on the parametric synthesis example of the static linear regulator for complex dynamic systems. Benefits of the scalable application for solving this problem include automation of the multi-agent control for the systems in a parallel mode with various degrees of its detailed elaboration.

TensorFlow: Large-Scale Machine Learning on Heterogeneous Distributed Systems

OpenAIRE

Abadi, Martín; Agarwal, Ashish; Barham, Paul; Brevdo, Eugene; Chen, Zhifeng; Citro, Craig; Corrado, Greg S.; Davis, Andy; Dean, Jeffrey; Devin, Matthieu; Ghemawat, Sanjay; Goodfellow, Ian; Harp, Andrew; Irving, Geoffrey; Isard, Michael

2016-01-01

TensorFlow is an interface for expressing machine learning algorithms, and an implementation for executing such algorithms. A computation expressed using TensorFlow can be executed with little or no change on a wide variety of heterogeneous systems, ranging from mobile devices such as phones and tablets up to large-scale distributed systems of hundreds of machines and thousands of computational devices such as GPU cards. The system is flexible and can be used to express a wide variety of algo...

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.

Biogas Catalytic Reforming Studies on Nickel-Based Solid Oxide Fuel Cell Anodes

DEFF Research Database (Denmark)

Johnson, Gregory B.; Hjalmarsson, Per; Norrman, Kion

2016-01-01

Heterogeneous catalysis studies were conducted on two crushed solid oxide fuel cell (SOFC) anodes in fixed-bed reactors. The baseline anode was Ni/ScYSZ (Ni/scandia and yttria stabilized zirconia), the other was Ni/ScYSZ modified with Pd/doped ceria (Ni/ScYSZ/Pd-CGO). Three main types......-programmed oxidation and time-of-flight secondary ion mass spectrometry. Results showed thatNi/ScYSZ/Pd-CGO was more active for catalytic dissociation of CH4 at 750°C and subsequent reactivity of deposited carbonaceous species. Sulfur deactivated most catalytic reactions except CO2 dissociation at 750°C. The presence...... of Pd-CGO helped to mitigate sulfur deactivation effect; e.g. lowering the onset temperature (up to 190°C) for CH4 conversion during temperature-programmed reactions. Both Ni/ScYSZ and Ni/ScYSZ/Pd-CGO anode catalysts were more active for dry reforming of biogas than they were for steam reforming...

How to ensure sustainable interoperability in heterogeneous distributed systems through architectural approach.

Science.gov (United States)

Pape-Haugaard, Louise; Frank, Lars

2011-01-01

A major obstacle in ensuring ubiquitous information is the utilization of heterogeneous systems in eHealth. The objective in this paper is to illustrate how an architecture for distributed eHealth databases can be designed without lacking the characteristic features of traditional sustainable databases. The approach is firstly to explain traditional architecture in central and homogeneous distributed database computing, followed by a possible approach to use an architectural framework to obtain sustainability across disparate systems i.e. heterogeneous databases, concluded with a discussion. It is seen that through a method of using relaxed ACID properties on a service-oriented architecture it is possible to achieve data consistency which is essential when ensuring sustainable interoperability.

Catalytic synthesis of aromatic diisocyanates by means of carbonylation of nitrocompounds with carbon monoxide

Energy Technology Data Exchange (ETDEWEB)

Nefedov, B K; Manov-Yuvenskii, V I; Khoshdurdev, Kh O; Novikov, S S [AN SSSR, Moscow. Inst. Organicheskoj Khimii

1977-02-11

The development of an active and selective heterogeneous catalyst for synthesis of aromatic diisocyanates has been studied. The catalytic ability of the catalyst PdO-MoO/sub 3/-Fe/sub 2/O/sub 3/ deposited on ..gamma..-Al/sub 2/O/sub 3/ has been investigated in the reactions of carbonylation of aromatic dinitrocompounds with carbon oxide. The effect of the catalyst composition, method of catalyst production, reaction temperature and pressure on the catalytic ability have been studied. It has been established that the catalyst PdO-MoO/sub 3/-Fe/sub 2/O/sub 3/(2-6:1:1) deposited on ..gamma..-Al/sub 2/O/sub 3/ is highly active and selective in the reactions of carbonilation of aromatic dinitrocompounds at 210 deg and 300 atm. It has been used for synthesis of aromatic diisocyanates in yield 32-75%.

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

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.

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)

Utilization and mitigation of VAM/CMM emissions by a catalytic combustion gas turbine

Energy Technology Data Exchange (ETDEWEB)

Tanaka, K.; Yoshino, Y.; Kashihara, H. [Kawasaki Heavy Industries Ltd., Hyougo (Japan); Kajita, S.

2013-07-01

A system configured with a catalytic combustion gas turbine generator unit is introduced. The system has been developed using technologies produced by Kawasaki Heavy Industries, Ltd., such as small gas turbines, recuperators and catalytic combustors, and catalytic oxidation units which use exhaust heat from gas turbines. The system combusts (oxidizes) ventilation air methane (less than 1% concentration) and low concentration coal mine methane (30% concentration or less) discharged as waste from coal mines. Thus, it cannot only reduce the consumption of high- quality fuel for power generation, but also mitigate greenhouse gas emissions.

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

Performance of new generation TWC catalytic systems working under different conditions in order to reduce the emission of a global warming gas: N{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Mac-Beath, I.; Castillo, S.; Camposeco, R.; Moran-Pineda, M. [Instituto Mexicano del Petroleo, Mexico, D.F. (Mexico). Programa de Ingenieria Molecular

2010-07-01

In this work, three-way catalytic systems (TWC-K, TWC-M and TWC-P) were prepared and tested experimentally in order to analyze N{sub 2}O emissions. Various types and quantities of precious metals (Pt-Pd-Rh), and different mixed oxides (CexBayLazMgwO{sub 2}-Al{sub 2}O{sub 3}) to prepare the supports were used. The catalytic tests were carried out by using common exhaust gases from a gasoline engine under different oxidizing conditions. The TWC catalytic compositions were based on catalytic converters used in retrofitting programs in the Metropolitan Area in Mexico City. Fresh and aged TWC catalytic samples were tested; in both conditions, the catalytic compositions were characterized by BET, TEM-EDS and XRD in order to analyze the efficiency of the catalytic behavior. Due to the fact that the 4{sup th} TWC generation (Pd-Only TWC) has Pd as main active metal, the tested TWC catalytic samples were synthesized by having Pd in a higher proportion with regard to Pt and Rh used as complements with some differences in support composition. (orig.)

Catalytic Cascade Dehydration-Etherification of Fructose into 5-Ethoxymethylfurfural with SO3H-Functionalized Polymers

Directory of Open Access Journals (Sweden)

Hu Li

2014-01-01

Full Text Available A series of SO3H-functionalized polymers were prepared and employed as heterogeneous catalysts for one-pot transformation of fructose into 5-ethoxymethylfurfural (EMF that is considered to be one of potential liquid biofuels. A high EMF yield of 72.8% could be obtained at 110°C for 10 h, and the polymeric acid catalysts could be recycled for five times without significant loss of catalytic performance.

Creating model systems for catalysis with mass-selected nanoparticles: Characterization and properties

DEFF Research Database (Denmark)

Sebök, Béla

today plenty of industrial heterogeneous catalysts are based on nanoparticles and their properties. The chapters in this thesis contain research on different processes and give examples of the possibilities of nanoscale catalyst materials. Because of the wide range of processes and materials involved...... electrolyte showing the stability of the catalyst.Apart from (photo)electrochemical reactions, nanoparticles play a very importantrole in different heterogeneous catalytic reactions where the reactants are in the gas phase. In order to investigate some of these reactions we created model systems utilizing...

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

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.

Methods and apparatus for catalytic hydrothermal gasification of biomass

Science.gov (United States)

Elliott, Douglas C.; Butner, Robert Scott; Neuenschwander, Gary G.; Zacher, Alan H.; Hart, Todd R.

2012-08-14

Continuous processing of wet biomass feedstock by catalytic hydrothermal gasification must address catalyst fouling and poisoning. One solution can involve heating the wet biomass with a heating unit to a temperature sufficient for organic constituents in the feedstock to decompose, for precipitates of inorganic wastes to form, for preheating the wet feedstock in preparation for subsequent separation of sulfur contaminants, or combinations thereof. Treatment further includes separating the precipitates out of the wet feedstock, removing sulfur contaminants, or both using a solids separation unit and a sulfur separation unit, respectively. Having removed much of the inorganic wastes and the sulfur that can cause poisoning and fouling, the wet biomass feedstock can be exposed to the heterogeneous catalyst for gasification.

Heterogeneous Pd catalysts as emulsifiers in Pickering emulsions for integrated multistep synthesis in flow chemistry.

Science.gov (United States)

Hiebler, Katharina; Lichtenegger, Georg J; Maier, Manuel C; Park, Eun Sung; Gonzales-Groom, Renie; Binks, Bernard P; Gruber-Woelfler, Heidrun

2018-01-01

Within the "compartmentalised smart factory" approach of the ONE-FLOW project the implementation of different catalysts in "compartments" provided by Pickering emulsions and their application in continuous flow is targeted. We present here the development of heterogeneous Pd catalysts that are ready to be used in combination with biocatalysts for catalytic cascade synthesis of active pharmaceutical ingredients (APIs). In particular, we focus on the application of the catalytic systems for Suzuki-Miyaura cross-coupling reactions, which is the key step in the synthesis of the targeted APIs valsartan and sacubitril. An immobilised enzyme will accomplish the final product formation via hydrolysis. In order to create a large interfacial area for the catalytic reactions and to keep the reagents separated until required, the catalyst particles are used to stabilise Pickering emulsions of oil and water. A set of Ce-Sn-Pd oxides with the molecular formula Ce 0.99- x Sn x Pd 0.01 O 2-δ ( x = 0-0.99) has been prepared utilising a simple single-step solution combustion method. The high applicability of the catalysts for different functional groups and their minimal leaching behaviour is demonstrated with various Suzuki-Miyaura cross-coupling reactions in batch as well as in continuous flow employing the so-called "plug & play reactor". Finally, we demonstrate the use of these particles as the sole emulsifier of oil-water emulsions for a range of oils.

Heterogeneity of D-Serine Distribution in the Human Central Nervous System

Science.gov (United States)

Suzuki, Masataka; Imanishi, Nobuaki; Mita, Masashi; Hamase, Kenji; Aiso, Sadakazu

2017-01-01

D-serine is an endogenous ligand for N-methyl-D-aspartate glutamate receptors. Accumulating evidence including genetic associations of D-serine metabolism with neurological or psychiatric diseases suggest that D-serine is crucial in human neurophysiology. However, distribution and regulation of D-serine in humans are not well understood. Here, we found that D-serine is heterogeneously distributed in the human central nervous system (CNS). The cerebrum contains the highest level of D-serine among the areas in the CNS. There is heterogeneity in its distribution in the cerebrum and even within the cerebral neocortex. The neocortical heterogeneity is associated with Brodmann or functional areas but is unrelated to basic patterns of cortical layer structure or regional expressional variation of metabolic enzymes for D-serine. Such D-serine distribution may reflect functional diversity of glutamatergic neurons in the human CNS, which may serve as a basis for clinical and pharmacological studies on D-serine modulation. PMID:28604057

Synthesis, Characterization, and Catalytic Applications of Transition Metal Oxide/Carbonate Nanomaterials

Science.gov (United States)

Jin, Lei

2011-12-01

This thesis contains two parts: 1) Studies of novel synthesis methods and characterization of advanced functional manganese oxide octahedral molecular sieves (OMS) and their applications in Li/Air batteries, solvent free toluene oxidations, and ethane oxydehydrogenation (ODH) in the presence of CO2, recycling the green house gas. 2) Development of unique Ln2O2CO3 (Ln = rare earth) layered materials and ZnO/La2O2CO3 composites as clean energy biofuel catalysts. These parts are separated into five different focused topics included in this thesis. The first topic presents studies of catalytic activities of a single step synthesized gamma-MnO2 octahedral molecular sieve nano fiber in solvent free atmospheric oxidation of toluene with molecular oxygen. Solvent free atmospheric oxidation of toluene is a notoriously difficult liquid phase oxidation process due to the challenge of oxidizing sp³ hybridized carbon in inactive hydrocarbons. The synthesized gamma-MnO2 showed excellent catalytic activity and good selectivity under the mild atmospheric reflux system. Under optimized conditions, a 47.8% conversion of toluene, along with 57% selectivity of benzoic acid and 15% of benzaldehyde were obtained. The effects of reaction time, amount of catalyst and initiator, and the reusability of the catalyst were investigated. The second topic involves developing titanium containing gamma-MnO 2 (TM) hollow spheres as electrocatalysts in Li/Air Batteries. Li/air batteries have recently attracted interest because they have the largest theoretical specific energy (11,972 Wh.kg-1) among all practical electrochemical couples. In this study, unique hollow aspheric materials were prepared for the first time using a one-step synthesis method and fully characterized by various techniques. These prepared materials were found to have excellent electrocatalytic activation as cathode materials in lithium-air batteries with a very high specific capacity (up to 2.3 A.h/g of carbon). The third

Endotoxin Removal from Water Using Heterogenus Catalytic Ozonation by Bone Char

Directory of Open Access Journals (Sweden)

Abas Rezaee

2011-10-01

Full Text Available The endotoxin is one of pollutants with lipopolysaccharide structure which release from gram negative bacteria and cyanobacters. The aim of this study was removal of endotoxin from water using catalytic ozonation by bone char. The endotoxin for experiments have extracted from Escherichia coli bacterium cell wall by Stefan and Jan method. Chromogenic limulus ambusite lysate method in 405-410 nm wave length was used for analysing of endotoxin. The ozone have analysed by potassium iodine method. Results: Results of the research shown endotoxin removal rates using heterogenous catalytic ozonation were 6.0 Eu/ml.min and 0.5 Eu/ml.min for grey bone char and white bone char, respectively. The efficency of the process was found eighty percent. Primary concentration of basic compounds had no effect on endotoxin removal rate. Therefore, endotoxin removal kinetic of reaction is a zero order reaction. This study revealed that ozonation process using bone char is more efficient than other proposed methods such as ozonation or chlorination and can be used successfully for endotoxin removal from water as a efficient method.

Efficient catalytic system for the direct transformation of lignocellulosic biomass to furfural and 5-hydroxymethylfurfural.

Science.gov (United States)

Zhang, Luxin; Xi, Guoyun; Zhang, Jiaxin; Yu, Hongbing; Wang, Xiaochang

2017-01-01

A feasible approach was developed for the co-production of 5-hydroxymethylfurfural (5-HMF) and furfural from corncob via a new porous polytriphenylamine-SO 3 H (SPTPA) solid acid catalyst in lactone solvents. XRD, SEM, XPS, N 2 adsorption-desorption, elemental analysis, TG-DTA, acid-base titration and FTIR spectroscopy techniques were used to characterize the catalyst. This study demonstrates and optimizes the catalytic performance of SPTPA and solvent selection. SPTPA was found to exhibit superior catalytic ability in γ-valerolactone (GVL). Under the optimum reaction conditions, simultaneously encouraging yields of furfural (73.9%) and 5-HMF (32.3%) were achieved at 448K. The main advantages of this process include reasonable yields of both 5-HMF and furfural in the same reaction system, practical simplicity for the raw biomass utilization, and the use of a safe and environmentally benign solvent. Copyright © 2016 Elsevier Ltd. All rights reserved.

Understanding Interdependencies between Heterogeneous Earth Observation Systems When Applied to Federal Objectives

Science.gov (United States)

Gallo, J.; Sylak-Glassman, E.

2017-12-01

We will present a method for assessing interdependencies between heterogeneous Earth observation (EO) systems when applied to key Federal objectives. Using data from the National Earth Observation Assessment (EOA), we present a case study that examines the frequency that measurements from each of the Landsat 8 sensors are used in conjunction with heterogeneous measurements from other Earth observation sensors to develop data and information products. This EOA data allows us to map the most frequent interactions between Landsat measurements and measurements from other sensors, identify high-impact data and information products where these interdependencies occur, and identify where these combined measurements contribute most to meeting a key Federal objective within one of the 13 Societal Benefit Areas used in the EOA study. Using a value-tree framework to trace the application of data from EO systems to weighted key Federal objectives within the EOA study, we are able to estimate relative contribution of individual EO systems to meeting those objectives, as well as the interdependencies between measurements from all EO systems within the EOA study. The analysis relies on a modified Delphi method to elicit relative levels of reliance on individual measurements from EO systems, including combinations of measurements, from subject matter experts. This results in the identification of a representative portfolio of all EO systems used to meet key Federal objectives. Understanding the interdependencies among a heterogeneous set of measurements that modify the impact of any one individual measurement on meeting a key Federal objective, especially if the measurements originate from multiple agencies or state/local/tribal, international, academic, and commercial sources, can impact agency decision-making regarding mission requirements and inform understanding of user needs.

A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.

Science.gov (United States)

Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru

2018-05-22

The catalytic activities of eight copper(i) halide clusters assembled from copper(i) halide and ferrocenyltelluroethers, 1-8, were investigated in C-N formation under various conditions. A catalytic procedure using poly(ethylene glycol) (PEG-400) as a greener alternative organic solvent has been developed. The PEG-400/5 system can achieve 99% targeted yield with a mild reaction temperature and short reaction time. After the isolation of the products by extraction with diethyl ether, this PEG-400/cluster system could be easily recycled. Spectroscopic studies elucidate a stepwise mechanism: firstly, proton-coupled electron transfer (PCET) involving the transfer of an electron from Cu+ and a proton from imidazole results in the formation of a labile penta-coordinated Cu2+ and aryl radical; the following effective electron transfer from the ferrocene unit reduces Cu2+ and forms the target product; finally, the ferrocenium unit is reduced by the I- anion. The merits of this eco-friendly synthesis are the efficient utilization of reagents and easy recyclability.

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.

Evolutionary Game Theory-Based Evaluation of P2P File-Sharing Systems in Heterogeneous Environments

Directory of Open Access Journals (Sweden)

Yusuke Matsuda

2010-01-01

Full Text Available Peer-to-Peer (P2P file sharing is one of key technologies for achieving attractive P2P multimedia social networking. In P2P file-sharing systems, file availability is improved by cooperative users who cache and share files. Note that file caching carries costs such as storage consumption and processing load. In addition, users have different degrees of cooperativity in file caching and they are in different surrounding environments arising from the topological structure of P2P networks. With evolutionary game theory, this paper evaluates the performance of P2P file sharing systems in such heterogeneous environments. Using micro-macro dynamics, we analyze the impact of the heterogeneity of user selfishness on the file availability and system stability. Further, through simulation experiments with agent-based dynamics, we reveal how other aspects, for example, synchronization among nodes and topological structure, affect the system performance. Both analytical and simulation results show that the environmental heterogeneity contributes to the file availability and system stability.

Catalytic Enzyme-Based Methods for Water Treatment and Water Distribution System Decontamination. 1. Literature Survey

Science.gov (United States)

2006-06-01

best examples of this is glucose isomerase, which has been used in the commercial production of high fructose corn syrup (HFCS) since 1967.230 Most...EDGEWOOD CHEMICAL BIOLOGICAL CENTER U.S. ARMY RESEARCH, DEVELOPMENT AND ENGINEERING COMMAND ECBC-TR-489 CATALYTIC ENZYME-BASED METHODS FOR WATER ...TREATMENT AND WATER DISTRIBUTION SYSTEM DECONTAMINATION 1. LITERATURE SURVEY Joseph J. DeFrank RESEARCH AND TECHNOLOGY DIRECTORATE June 2006 Approved for

Community characterization of heterogeneous complex systems

International Nuclear Information System (INIS)

Tumminello, Michele; Miccichè, Salvatore; Lillo, Fabrizio; Mantegna, Rosario N; Varho, Jan; Piilo, Jyrki

2011-01-01

We introduce an analytical statistical method for characterizing the communities detected in heterogeneous complex systems. By proposing a suitable null hypothesis, our method makes use of the hypergeometric distribution to assess the probability that a given property is over-expressed in the elements of a community with respect to all the elements of the investigated set. We apply our method to two specific complex networks, namely a network of world movies and a network of physics preprints. The characterization of the elements and of the communities is done in terms of languages and countries for the movie network and of journals and subject categories for papers. We find that our method is able to characterize clearly the communities identified. Moreover our method works well both for large and for small communities

Certain aspects of the formation and identification of nanosized oxide components in heterogeneous catalysts prepared by different methods

International Nuclear Information System (INIS)

Ellert, Ol'ga G; Novotortsev, Vladimir M; Tsodikov, Mark V

2010-01-01

The results of studies into the relationship 'methods and synthesis conditions of a catalyst→catalyst structure→catalytic properties' in highly efficient crystallo-graphically amorphous copper- and iron-containing heterogeneous systems obtained by different chemical methods are generalized. Polymorphism of active phases and catalytic properties of nanostructured copper-containing zinc, zirconium, manganese and cerium oxides are discussed. Unusual transformations of nanosized Pt- and Pd-containing components on the γ-Al 2 O 3 surface in nanostructured catalysts of ethanol steam reforming into synthesis gas and reductive dehydration of ethanol to alkanes are considered. The results of comparative studies on the crystallographically amorphous mixed iron oxide catalysts synthesized by either the alkoxy method or the deposition on various supports obtained by the Moessbauer and XAFS spectroscopy and magnetic susceptibility measurements are presented. These materials are shown to be efficient catalysts of important processes such as liquid-phase oxidation of hydrocarbons, synthesis of alkenes and alkylaromatic hydrocarbons from CO and H 2 , hydrogenative transformation of brown coal organic mass to hydrocarbons.

Cross-catalytic peptide nucleic acid (PNA) replication based on templated ligation

DEFF Research Database (Denmark)

Singhal, Abhishek; Nielsen, Peter E

2014-01-01

We report the first PNA self-replicating system based on template directed cross-catalytic ligation, a process analogous to biological replication. Using two template PNAs and four pentameric precursor PNAs, all four possible carbodiimide assisted amide ligation products were detected...... precursors. Cross-catalytic product formation followed product inhibited kinetics, but approximately two replication rounds were observed. Analogous but less efficient replication was found for a similar tetrameric system. These results demonstrate that simpler nucleobase replication systems than natural...

Comparing the Caputo, Caputo-Fabrizio and Atangana-Baleanu derivative with fractional order: Fractional cubic isothermal auto-catalytic chemical system

Science.gov (United States)

Saad, K. M.

2018-03-01

In this work we extend the standard model for a cubic isothermal auto-catalytic chemical system (CIACS) to a new model of a fractional cubic isothermal auto-catalytic chemical system (FCIACS) based on Caputo (C), Caputo-Fabrizio (CF) and Atangana-Baleanu in the Liouville-Caputo sense (ABC) fractional time derivatives, respectively. We present approximate solutions for these extended models using the q -homotopy analysis transform method ( q -HATM). We solve the FCIACS with the C derivative and compare our results with those obtained using the CF and ABC derivatives. The ranges of convergence of the solutions are found and the optimal values of h , the auxiliary parameter, are derived. Finally, these solutions are compared with numerical solutions of the various models obtained using finite differences and excellent agreement is found.

Environmental dynamics of metal oxide nanoparticles in heterogeneous systems: A review

International Nuclear Information System (INIS)

Joo, Sung Hee; Zhao, Dongye

2017-01-01

Highlights: • Influence of contaminants on the mobility of metal oxide nanoparticles (MNPs). • Synergistic effects of MNPs in the presence of contaminants. • Effect of environmental factors on the transformed MNPs. • Research direction on the toxicity modeling assessment of heterogeneous systems. - Abstract: Metal oxide nanoparticles (MNPs) have been used for many purposes including water treatment, health, cosmetics, electronics, food packaging, and even food products. As their applications continue to expand, concerns have been mounting about the environmental fate and potential health risks of the nanoparticles in the environment. Based on the latest information, this review provides an overview of the factors that affect the fate, transformation and toxicity of MNPs. Emphasis is placed on the effects of various aquatic contaminants under various environmental conditions on the transformation of metal oxides and their transport kinetics – both in homogeneous and heterogeneous systems – and the effects of contaminants on the toxicity of MNPs. The presence of existing contaminants decreases bioavailability through hetero-aggregation, sorption, and/or complexation upon an interaction with MNPs. Contaminants also influence the fate and transport of MNPs and exhibit their synergistic toxic effects that contribute to the extent of the toxicity. This review will help regulators, engineers, and scientists in this field to understand the latest development on MNPs, their interactions with aquatic contaminants as well as the environmental dynamics of their fate and transformation. The knowledge gap and future research needs are also identified, and the challenges in assessing the environmental fate and transport of nanoparticles in heterogeneous systems are discussed.

Environmental dynamics of metal oxide nanoparticles in heterogeneous systems: A review

Energy Technology Data Exchange (ETDEWEB)

Joo, Sung Hee, E-mail: s.joo1@miami.edu [Department of Civil, Architectural, and Environmental Engineering, University of Miami, 1251 Memorial Dr. McArthur Engineering Building, Coral Gables, FL 33146-0630 (United States); Zhao, Dongye [Department of Civil and Environmental Engineering, 238 Harbert Engineering Center, Auburn University, Auburn, AL 36849 (United States)

2017-01-15

Highlights: • Influence of contaminants on the mobility of metal oxide nanoparticles (MNPs). • Synergistic effects of MNPs in the presence of contaminants. • Effect of environmental factors on the transformed MNPs. • Research direction on the toxicity modeling assessment of heterogeneous systems. - Abstract: Metal oxide nanoparticles (MNPs) have been used for many purposes including water treatment, health, cosmetics, electronics, food packaging, and even food products. As their applications continue to expand, concerns have been mounting about the environmental fate and potential health risks of the nanoparticles in the environment. Based on the latest information, this review provides an overview of the factors that affect the fate, transformation and toxicity of MNPs. Emphasis is placed on the effects of various aquatic contaminants under various environmental conditions on the transformation of metal oxides and their transport kinetics – both in homogeneous and heterogeneous systems – and the effects of contaminants on the toxicity of MNPs. The presence of existing contaminants decreases bioavailability through hetero-aggregation, sorption, and/or complexation upon an interaction with MNPs. Contaminants also influence the fate and transport of MNPs and exhibit their synergistic toxic effects that contribute to the extent of the toxicity. This review will help regulators, engineers, and scientists in this field to understand the latest development on MNPs, their interactions with aquatic contaminants as well as the environmental dynamics of their fate and transformation. The knowledge gap and future research needs are also identified, and the challenges in assessing the environmental fate and transport of nanoparticles in heterogeneous systems are discussed.

Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation

DEFF Research Database (Denmark)

Lira-Navarrete, Erandi; de Las Rivas, Matilde; Compañón, Ismael

2015-01-01

the first crystal structures of complexes of GalNAc-T2 with glycopeptides that together with enhanced sampling molecular dynamics simulations demonstrate a cooperative mechanism by which the lectin domain enables free acceptor sites binding of glycopeptides into the catalytic domain. Atomic force microscopy......Protein O-glycosylation is controlled by polypeptide GalNAc-transferases (GalNAc-Ts) that uniquely feature both a catalytic and lectin domain. The underlying molecular basis of how the lectin domains of GalNAc-Ts contribute to glycopeptide specificity and catalysis remains unclear. Here we present...... and small-angle X-ray scattering experiments further reveal a dynamic conformational landscape of GalNAc-T2 and a prominent role of compact structures that are both required for efficient catalysis. Our model indicates that the activity profile of GalNAc-T2 is dictated by conformational heterogeneity...

FOREWORD: Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach Heterogenous nucleation and microstructure formation—a scale- and system-bridging approach

Science.gov (United States)

Emmerich, H.

2009-11-01

Scope and aim of this volume. Nucleation and initial microstructure formation play an important role in almost all aspects of materials science [1-5]. The relevance of the prediction and control of nucleation and the subsequent microstructure formation is fully accepted across many areas of modern surface and materials science and technology. One reason is that a large range of material properties, from mechanical ones such as ductility and hardness to electrical and magnetic ones such as electric conductivity and magnetic hardness, depend largely on the specific crystalline structure that forms in nucleation and the subsequent initial microstructure growth. A very demonstrative example for the latter is the so called bamboo structure of an integrated circuit, for which resistance against electromigration [6] , a parallel alignment of grain boundaries vertical to the direction of electricity, is most favorable. Despite the large relevance of predicting and controlling nucleation and the subsequent microstructure formation, and despite significant progress in the experimental analysis of the later stages of crystal growth in line with new theoretical computer simulation concepts [7], details about the initial stages of solidification are still far from being satisfactorily understood. This is in particular true when the nucleation event occurs as heterogenous nucleation. The Priority Program SPP 1296 'Heterogenous Nucleation and Microstructure Formation—a Scale- and System-Bridging Approach' [8] sponsored by the German Research Foundation, DFG, intends to contribute to this open issue via a six year research program that enables approximately twenty research groups in Germany to work interdisciplinarily together following this goal. Moreover, it enables the participants to embed themselves in the international community which focuses on this issue via internationally open joint workshops, conferences and summer schools. An outline of such activities can be found

Process systems engineering studies for catalytic production of bio-based platform molecules from lignocellulosic biomass

International Nuclear Information System (INIS)

Han, Jeehoon

2017-01-01

Highlights: • A process-systems engineering study for production of bio-based platform molecules to is presented. • Experimentally verified catalysis studies for biomass conversion are investigated. • New separations for effective recovery of bio-based platform molecules are developed. • Separations are integrated with catalytic biomass conversions. • Proposed process can compete economically with the current production approaches. - Abstract: This work presents a process-system engineering study of an integrated catalytic conversion strategy to produce bio-based platform molecules (levulinic acid (LA), furfural (FF), and propyl guaiacol (PG)) from hemicellulose (C_5), cellulose (C_6), and lignin fractions of lignocellulosic biomass. A commercial-scale process based on the strategy produces high numerical carbon yields (overall yields: 35.2%; C_6-to-LA: 20.4%, C_5-to-FF: 69.2%, and Lignin-to-PG: 13.3%) from a dilute concentration of solute (1.3–30.0 wt.% solids), but a high recovery of these molecules requires an efficient separation system with low energy requirement. A heat exchanger network significantly reduced the total energy requirements of the process. An economic analysis showed that the minimum selling price of LA as the highest value-added product (42.3 × 10"3 t of LA/y using 700 × 10"3 dry t/y of corn stover) is US$1707/t despite using negative economic parameters, and that this system can be cost-competitive with current production approaches.

Catalytic wet-air oxidation of lignin in a three-phase reactor with aromatic aldehyde production

Directory of Open Access Journals (Sweden)

Sales F.G.

2004-01-01

Full Text Available In the present work a process of catalytic wet air oxidation of lignin obtained from sugar-cane bagasse is developed with the objective of producing vanillin, syringaldehyde and p-hydroxybenzaldehyde in a continuous regime. Palladium supported on g-alumina was used as the catalyst. The reactions in the lignin degradation and aldehyde production were described by a kinetic model as a system of complex parallel and series reactions, in which pseudo-first-order steps are found. For the purpose of producing aromatic aldehydes in continuous regime, a three-phase fluidized reactor was built, and it was operated using atmospheric air as the oxidizer. The best yield in aromatic aldehydes was of 12%. The experimental results were compatible with those values obtained by the pseudo-heterogeneous axial dispersion model (PHADM applied to the liquid phase.

PLANETARY-SCALE STRONTIUM ISOTOPIC HETEROGENEITY AND THE AGE OF VOLATILE DEPLETION OF EARLY SOLAR SYSTEM MATERIALS

Energy Technology Data Exchange (ETDEWEB)

Moynier, Frederic; Podosek, Frank A. [Department of Earth and Planetary Science and McDonnell Center for Space Sciences, Washington University, St. Louis, MO 63130 (United States); Day, James M. D. [Geosciences Research Division, Scripps Institution of Oceanography, La Jolla, CA 92093-0244 (United States); Okui, Wataru; Yokoyama, Tetsuya [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, Tokyo 152-8551 (Japan); Bouvier, Audrey [Department of Earth Sciences, University of Minnesota, Minneapolis, MN 55455-0231 (United States); Walker, Richard J., E-mail: moynier@levee.wustl.edu, E-mail: fap@levee.wustl.edu, E-mail: jmdday@ucsd.edu, E-mail: rjwalker@umd.edu, E-mail: okui.w.aa@m.titech.ac.jp, E-mail: tetsuya.yoko@geo.titech.ac.jp, E-mail: abouvier@umn.edu [Department of Geology, University of Maryland, College Park, MD 20742 (United States)

2012-10-10

Isotopic anomalies in planetary materials reflect both early solar nebular heterogeneity inherited from presolar stellar sources and processes that generated non-mass-dependent isotopic fractionations. The characterization of isotopic variations in heavy elements among early solar system materials yields important insight into the stellar environment and formation of the solar system, and about initial isotopic ratios relevant to long-term chronological applications. One such heavy element, strontium, is a central element in the geosciences due to wide application of the long-lived {sup 87}Rb-{sup 87}Sr radioactive as a chronometer. We show that the stable isotopes of Sr were heterogeneously distributed at both the mineral scale and the planetary scale in the early solar system, and also that the Sr isotopic heterogeneities correlate with mass-independent oxygen isotope variations, with only CI chondrites plotting outside of this correlation. The correlation implies that most solar system material formed by mixing of at least two isotopically distinct components: a CV-chondrite-like component and an O-chondrite-like component, and possibly a distinct CI-chondrite-like component. The heterogeneous distribution of Sr isotopes may indicate that variations in initial {sup 87}Sr/{sup 86}Sr of early solar system materials reflect isotopic heterogeneity instead of having chronological significance, as interpreted previously. For example, given the differences in {sup 84}Sr/{sup 86}Sr between calcium aluminum inclusions and eucrites ({epsilon}{sup 84}Sr > 2), the difference in age between these materials would be {approx}6 Ma shorter than previously interpreted, placing the Sr chronology in agreement with other long- and short-lived isotope systems, such as U-Pb and Mn-Cr.

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.

Direct Olefination of Alcohols with Sulfones by Using Heterogeneous Platinum Catalysts.

Science.gov (United States)

Siddiki, S M A Hakim; Touchy, Abeda Sultana; Kon, Kenichi; Shimizu, Ken-Ichi

2016-04-18

Carbon-supported Pt nanoparticles (Pt/C) were found to be effective heterogeneous catalysts for the direct Julia olefination of alcohols in the presence of sulfones and KOtBu under oxidant-free conditions. Primary alcohols, including aryl, aliphatic, allyl, and heterocyclic alcohols, underwent olefination with dimethyl sulfone and aryl alkyl sulfones to give terminal and internal olefins, respectively. Secondary alcohols underwent methylenation with dimethyl sulfone. Under 2.5 bar H2, the same reaction system was effective for the transformation of alcohol OH groups to alkyl groups. Structural and mechanistic studies of the terminal olefination system suggested that Pt(0) sites on the Pt metal particles are responsible for the rate-limiting dehydrogenation of alcohols and that KOtBu may deprotonate the sulfone reagent. The Pt/C catalyst was reusable after the olefination, and this method showed a higher turnover number (TON) and a wider substrate scope than previously reported methods, which demonstrates the high catalytic efficiency of the present method. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Palladium-pyridyl catalytic films: a highly active and recyclable catalyst for hydrogenation of styrene under mild conditions.

Science.gov (United States)

Gao, Shuiying; Li, Weijin; Cao, Rong

2015-03-01

Palladium-pyridyl catalytic films, (PdCl2/bpy)n, were created by alternating immersions of a substrate in PdCl2 and bpy (bpy=4, 4'-bipyridyl) solutions. The as-prepared (PdCl2/bpy)10 catalyst demonstrated a remarkable catalytic activity toward hydrogenation of styrene under mild conditions and the turnover frequency (TOF) is as high as 6944h(-1). Pd(II) ions of (PdCl2/bpy)n films are in situ reduced to Pd nanoparticles (NPs) during the hydrogenation of styrene process, which results in the catalytic activity of the films. The results of X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) further demonstrate that Pd(II) ions of (PdCl2/bpy)n films were gradually converted to Pd(0) states. The catalytic activity is related to bilayer numbers and the activity increases with the number of bilayers below 10 bilayers. The solid substrates coated with (PdCl2/bpy)n multilayer catalysts were easily removed from the reaction mixture without separation filtration. Moreover, (PdCl2/bpy)n catalysts were reused for 10 consecutive reactions without loss of activity. The present (PdCl2/bpy)n heterogeneous catalysts have the advantages of easy separation and good recyclability. Copyright © 2014 Elsevier Inc. All rights reserved.

A Parallel Strategy for Convolutional Neural Network Based on Heterogeneous Cluster for Mobile Information System

Directory of Open Access Journals (Sweden)

Jilin Zhang

2017-01-01

Full Text Available With the development of the mobile systems, we gain a lot of benefits and convenience by leveraging mobile devices; at the same time, the information gathered by smartphones, such as location and environment, is also valuable for business to provide more intelligent services for customers. More and more machine learning methods have been used in the field of mobile information systems to study user behavior and classify usage patterns, especially convolutional neural network. With the increasing of model training parameters and data scale, the traditional single machine training method cannot meet the requirements of time complexity in practical application scenarios. The current training framework often uses simple data parallel or model parallel method to speed up the training process, which is why heterogeneous computing resources have not been fully utilized. To solve these problems, our paper proposes a delay synchronization convolutional neural network parallel strategy, which leverages the heterogeneous system. The strategy is based on both synchronous parallel and asynchronous parallel approaches; the model training process can reduce the dependence on the heterogeneous architecture in the premise of ensuring the model convergence, so the convolution neural network framework is more adaptive to different heterogeneous system environments. The experimental results show that the proposed delay synchronization strategy can achieve at least three times the speedup compared to the traditional data parallelism.

Structure-activity relationships of heterogeneous catalysts from time-resolved X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Ressler, T.; Jentoft, R.E.; Wienold, J.; Girgsdies, F.; Neisius, T.; Timpe, O.

2003-01-01

Knowing the composition and the evolution of the bulk structure of a heterogeneous catalyst under working conditions (in situ) is a pre-requisite for understanding structure-activity relationships. X-ray absorption spectroscopy can be employed to study a catalytically active material in situ. In addition to steady-state investigations, the technique permits experiments with a time-resolution in the sub-second range to elucidate the solid-state kinetics of the reactions involved. Combined with mass spectrometry, the evolution of the short-range order structure of a heterogeneous catalyst, the average valence of the constituent metals, and the phase composition can be obtained. Here we present results obtained from time-resolved studies on the reduction of MoO 3 in propene and in propene and oxygen

Application, Deactivation, and Regeneration of Heterogeneous Catalysts in Bio-Oil Upgrading

Directory of Open Access Journals (Sweden)

Shouyun Cheng

2016-12-01

Full Text Available The massive consumption of fossil fuels and associated environmental issues are leading to an increased interest in alternative resources such as biofuels. The renewable biofuels can be upgraded from bio-oils that are derived from biomass pyrolysis. Catalytic cracking and hydrodeoxygenation (HDO are two of the most promising bio-oil upgrading processes for biofuel production. Heterogeneous catalysts are essential for upgrading bio-oil into hydrocarbon biofuel. Although advances have been achieved, the deactivation and regeneration of catalysts still remains a challenge. This review focuses on the current progress and challenges of heterogeneous catalyst application, deactivation, and regeneration. The technologies of catalysts deactivation, reduction, and regeneration for improving catalyst activity and stability are discussed. Some suggestions for future research including catalyst mechanism, catalyst development, process integration, and biomass modification for the production of hydrocarbon biofuels are provided.

Probing water motion in heterogenous systems : a multi-parameter NMR approach

NARCIS (Netherlands)

Dusschoten, van D.

1996-01-01

In this Thesis a practical approach is presented to study water mobility in heterogeneous systems by a number of novel NMR sequences. The major part of this Thesis describes how the reliability of diffusion measurements can be improved using some of the novel NMR sequences. The

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.

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.

Optimal task partition and state-dependent loading in heterogeneous two-element work sharing system

International Nuclear Information System (INIS)

Levitin, Gregory; Xing, Liudong; Ben-Haim, Hanoch; Dai, Yuanshun

2016-01-01

Many real-world systems such as multi-channel data communication, multi-path flow transmission and multi-processor computing systems have work sharing attributes where system elements perform different portions of the same task simultaneously. Motivated by these applications, this paper models a heterogeneous work-sharing system with two non-repairable elements. When one element fails, the other element takes over the uncompleted task of the failed element upon finishing its own part; the load level of the remaining operating element can change at the time of the failure, which further affects its performance, failure behavior and operation cost. Considering these dynamics, mission success probability (MSP), expected mission completion time (EMCT) and expected cost of successful mission (ECSM) are first derived. Further, optimization problems are formulated and solved, which find optimal task partition and element load levels maximizing MSP, minimizing EMCT or minimizing ECSM. Effects of element reliability, performance, operation cost on the optimal solutions are also investigated through examples. Results of this work can facilitate a tradeoff analysis of different mission performance indices for heterogeneous work-sharing systems. - Highlights: • A heterogeneous work-sharing system with two non-repairable elements is considered. • The optimal work distribution and element loading problem is formulated and solved. • Effects of element reliability, performance, operation cost on the optimal solutions are investigated.

Hot news recommendation system from heterogeneous websites based on bayesian model.

Science.gov (United States)

Xia, Zhengyou; Xu, Shengwu; Liu, Ningzhong; Zhao, Zhengkang

2014-01-01

The most current news recommendations are suitable for news which comes from a single news website, not for news from different heterogeneous news websites. Previous researches about news recommender systems based on different strategies have been proposed to provide news personalization services for online news readers. However, little research work has been reported on utilizing hundreds of heterogeneous news websites to provide top hot news services for group customers (e.g., government staffs). In this paper, we propose a hot news recommendation model based on Bayesian model, which is from hundreds of different news websites. In the model, we determine whether the news is hot news by calculating the joint probability of the news. We evaluate and compare our proposed recommendation model with the results of human experts on the real data sets. Experimental results demonstrate the reliability and effectiveness of our method. We also implement this model in hot news recommendation system of Hangzhou city government in year 2013, which achieves very good results.

Targeting resources within diverse, heterogeneous and dynamic farming systems: Towards a ‘uniquely African green revolution’

NARCIS (Netherlands)

Tittonell, P.A.; Vanlauwe, B.; Misiko, M.; Giller, K.E.

2011-01-01

Smallholder farms in sub-Saharan Africa (SSA) are highly diverse and heterogeneous, often operating in complex socio-ecological environments. Much of the heterogeneity within the farming systems is caused by spatial soil variability, which results in its turn from the interaction between inherent

Preparation, structural characterization, and catalytic performance of Pd(II) and Pt(II) complexes derived from cellulose Schiff base

Science.gov (United States)

Baran, Talat; Yılmaz Baran, Nuray; Menteş, Ayfer

2018-05-01

In this study, we reported production, characterization, and catalytic behavior of two novel heterogeneous palladium(II) and platinum(II) catalysts derived from cellulose biopolymer. In order to eliminate the use of toxic organic or inorganic solvents and to reduce the use of excess energy in the coupling reactions, we have developed a very simple, rapid, and eco-friendly microwave irradiation protocol. The developed microwave-assisted method of Suzuki cross coupling reactions produced excellent reaction yields in the presence of cellulose supported palladium and platinum (II) catalysts. Moreover, the catalysts easily regenerated after simple filtration, and they gave good reusability. This study revealed that the designed catalysts and method provide clean, simple, rapid, and impressive catalytic performance for Suzuki coupling reactions.

Heterogeneous delay-induced asynchrony and resonance in a small-world neuronal network system

Science.gov (United States)

Yu, Wen-Ting; Tang, Jun; Ma, Jun; Yang, Xianqing

2016-06-01

A neuronal network often involves time delay caused by the finite signal propagation time in a given biological network. This time delay is not a homogenous fluctuation in a biological system. The heterogeneous delay-induced asynchrony and resonance in a noisy small-world neuronal network system are numerically studied in this work by calculating synchronization measure and spike interval distribution. We focus on three different delay conditions: double-values delay, triple-values delay, and Gaussian-distributed delay. Our results show the following: 1) the heterogeneity in delay results in asynchronous firing in the neuronal network, and 2) maximum synchronization could be achieved through resonance given that the delay values are integer or half-integer times of each other.

Monte Carlo calculations of neutron thermalization in a heterogeneous system

Energy Technology Data Exchange (ETDEWEB)

Hoegberg, T

1959-07-15

The slowing down of neutrons in a heterogeneous system (a slab geometry) of uranium and heavy water has been investigated by Monte Carlo methods. Effects on the neutron spectrum due to the thermal motions of the scattering and absorbing atoms are taken into account. It has been assumed that the speed distribution of the moderator atoms are Maxwell-Boltzmann in character.

Reduction and Analysis of Low Temperature Shift Heterogeneous Catalyst for Water Gas Reaction in Ammonia Production

Directory of Open Access Journals (Sweden)

Zečević, N.

2013-09-01

Full Text Available In order to obtain additional quantities of hydrogen after the reforming reactions of natural gas and protect the ammonia synthesis catalyst, it is crucial to achieve and maintain maximum possible activity, selectivity and stability of the low temperature shift catalyst for conversion of water gas reaction during its lifetime. Whereas the heterogeneous catalyst comes in oxidized form, it is of the utmost importance to conduct the reduction procedure properly. The proper reduction procedure and continuous analysis of its performance would ensure the required activity, selectivity and stability throughout the catalyst’s service time. For the proper reduction procedure ofthe low temperature shift catalyst, in addition to process equipment, also necessary is a reliable and realistic system for temperature measurements, which will be effective for monitoring the exothermal temperature curves through all catalyst bed layers. For efficiency evaluation of low shift temperature catalyst reduction and its optimization, it is necessary to determine at regular time intervals the temperature approach to equilibrium and temperature profiles of individual layers by means of "S" and "die off" temperature exothermal curves. Based on the obtained data, the optimum inlet temperature could be determined, in order to maximally extend the service life of the heterogeneous catalyst as much as possible, and achieve the optimum equilibrium for conversion of the water gas. This paper presents the methodology for in situ reduction of the low temperature shift heterogeneous catalyst and the developed system for monitoring its individual layers to achieve the minimum possible content of carbon monoxide at the exit of the reactor. The developed system for temperature monitoring through heterogeneous catalyst layers provides the proper procedure for reduction and adjustment of optimum process working conditions for the catalyst by the continuous increase of reactor inlet

Hydrothermal synthesis, structure, heterogeneous catalytic activity and photoluminescent properties of a novel homoleptic Sm(III)-organic framework

Energy Technology Data Exchange (ETDEWEB)

Ay, Burak [Department of Chemistry, Arts and Science Faculty,Çukurova University, 01330 Adana (Turkey); Yildiz, Emel, E-mail: eeyildiz@cu.edu.tr [Department of Chemistry, Arts and Science Faculty,Çukurova University, 01330 Adana (Turkey); Felts, Ashley C.; Abboud, Khalil A. [Department of Chemistry, University of Florida, Gainesville, FL 32611 (United States)

2016-12-15

A novel metal-organic framework, (H{sub 2}pip){sub n}[Sm{sub 2}(pydc){sub 4}(H{sub 2}O){sub 2}]{sub n} (1) (H{sub 2}pydc=2,6-pyridinedicarboxylic acid, H{sub 2}pip=piperazine) has been synthesized under hydrothermal conditions and characterized by the elemental analysis, inductively coupled plasma (ICP) spectrometer, fourier transform infrared (FT-IR) spectra, thermogravimetric analysis (TGA), single crystal X-ray diffraction analysis and powder X-ray diffraction (PXRD). The structure of 1 was determined to be three-dimensional, linked along Sm-O-Sm chains. The asymmetric unit consisted of one singly anionic fragment consisting of Sm(III) coordinated to two H{sub 2}pydc ligands and one water, and one half of a protonated H{sub 2}pip, which sits on an inversion center. 1 exhibited luminescence emission bands at 534 nm at room temperature when excited at 440 nm. Its thermal behavior and catalytic performance were investigated and the selectivity was measured as 100% for the oxidation of thymol to thymoquinone. - Graphical abstract: A novel 3D lanthanide-organic framework has been synthesized under hydrothermal conditions. The thermal behavior and catalytic performance of 1 were investigated and its selectivity was measured as 100% for the oxidation of thymol to thymoquinone.

Spectrophotometry of zirconocene-polymethyl alumoxan catalytic systems: analysis of main components and parametric simulation

International Nuclear Information System (INIS)

Ryabenko, A.G.; Fajngol'd, E.E.; Ushakov, E.N.; Bravaya, N.M.

2005-01-01

Transformation of electronic spectra of absorption of zirconocene catalytic systems Ph 2 CCpFluZrCl 2 -poly methyl-alumoxan (MAO) and rac-Me 2 Si(2-Me,4-PhInd) 2 ZrCl 2 -MAO (Flu-fluorenyl, Ind-indenyl) in toluene as ratio of reagents Al MAO /Zr changes from 0 to 3000 mol mol -1 . Analysis of spectroscopic data with using the statistical methods made possible recognition of number of products of reaction in every system. Reaction model involving three equilibrium is suggested. Effective values of equilibrium constants and absorption spectra of separate products of reactions were evaluated by means of parametric self-simulation of experimental spectra [ru

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.

Heterogeneous Fenton-like discoloration of methyl orange using Fe3O4/MWCNTs as catalyst: kinetics and Fenton-like mechanism

Science.gov (United States)

Xu, Huan-Yan; Wang, Yuan; Shi, Tian-Nuo; Zhao, Hang; Tan, Qu; Zhao, Bo-Chao; He, Xiu-Lan; Qi, Shu-Yan

2018-03-01

The kinetics and Fenton-like mechanism are two challenging tasks for heterogeneous Fenton-like catalytic oxidation of organic pollutants. In this study, three kinetic models were used for the kinetic studies of Fe3O4/MWCNTs-H2O2 Fenton-like reaction for MO degradation. The results indicated that this reaction followed the first-order kinetic model. The relationship of reaction rate constant and temperature followed the Arrhenius equation. The activation energy and frequency factor of this system were calculated as 8.2 kJ·mol-1 and 2.72 s-1, respectively. The quantifications of Fe ions dissolution and •OH radicals generation confirmed that the homogeneous and heterogeneous catalyses were involved in Fe3O4/MWCNTs-H2O2 Fenton-like reaction. The reaction rate constant was closely related with Fe ions dissolution and •OH radicals generation. Fe3O4/MWCNTs nanocomposites had typical ferromagnetic property and could be easily separated from solution by an external magnet after being used. Furthermore, Fe3O4/MWCNTs nanocomposites exhibited good stability and recyclability. Finally, the Fenton-like mechanisms on homogeneous and heterogeneous catalyses were described.

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.

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.

Regional heterogeneity of endothelial cells in the porcine vortex vein system.

Science.gov (United States)

Tan, Priscilla Ern Zhi; Yu, Paula K; Cringle, Stephen J; Morgan, William H; Yu, Dao-Yi

2013-09-01

The aim of this study was to investigate whether region-dependent endothelial heterogeneity is present within the porcine vortex vein system. The superior temporal vortex vein in young adult pig eyes were dissected out and cannulated. The intact vortex vein system down to the choroidal veins was then perfused with labels for f-actin and nucleic acid. The endothelial cells within the choroidal veins, pre-ampulla, anterior portion of the ampulla, mid-ampulla, posterior portion of the ampulla, post-ampulla, intra-scleral canal and the extra-ocular vortex vein regions were studied in detail using a confocal microscopy technique. The endothelial cell and nuclei length, width, area and perimeter were measured and compared between the different regions. Significant regional differences in the endothelial cell and nuclei length, width, area and perimeter were observed throughout the porcine vortex vein system. Most notably, very narrow and elongated endothelia were found in the post-ampulla region. A lack of smooth muscle cells was noted in the ampulla region compared to other regions. Heterogeneity in endothelial cell morphology is present throughout the porcine vortex vein system and there is a lack of smooth muscle cells in the ampulla region. This likely reflects the highly varied haemodynamic conditions and potential blood flow control mechanisms in different regions of the vortex vein system. Copyright © 2013 Elsevier Inc. All rights reserved.

Dynamic Arrest in Charged Colloidal Systems Exhibiting Large-Scale Structural Heterogeneities

International Nuclear Information System (INIS)

Haro-Perez, C.; Callejas-Fernandez, J.; Hidalgo-Alvarez, R.; Rojas-Ochoa, L. F.; Castaneda-Priego, R.; Quesada-Perez, M.; Trappe, V.

2009-01-01

Suspensions of charged liposomes are found to exhibit typical features of strongly repulsive fluid systems at short length scales, while exhibiting structural heterogeneities at larger length scales that are characteristic of attractive systems. We model the static structure factor of these systems using effective pair interaction potentials composed of a long-range attraction and a shorter range repulsion. Our modeling of the static structure yields conditions for dynamically arrested states at larger volume fractions, which we find to agree with the experimentally observed dynamics

Heterogeneous redox reactions in groundwater flow systems - Investigation and application of two different coupled codes

Energy Technology Data Exchange (ETDEWEB)

Pfingsten, W.; Carnahan, C.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1995-05-01

Two simulators of reactive chemical transport are applied to a set of problems involving heterogeneous reactions of uranium species. The simulators use similar algorithms to compute the heterogeneous chemical equilibria, but they use different approaches to the computation of solute transport and to the coupling of transport with chemical reactions. One simulator (MCOTAC) sequentially couples calculations of static chemical equilibria to a random-walk simulation of solute advection and dispersion. The other simulator (THCC) directly couples mass action relations for chemical equilibria to finite-difference representations of the solute transport equations. The aim of the comparison was to demonstrate the applicability of the newly developed code MCOTAC to redox problems, and to identify and investigate general differences between the two types of codes within these applications. The chosen heterogeneous redox systems are hypothetically generate systems which provide numerical difficulties within the coupled code calculation. Uranium, an important component of heterogeneous redox systems consisting of uraniferous solids and natural groundwaters, was chosen as a main component in the example redox systems because of practical interest for performance assessment of geological repositories for nuclear wastes. The calculations show reasonable agreement, in general, between the two computational approaches. Specific areas of disagreement arise from numerical difficulties to each approach. Such `benchmarking` can enhance confidence in the overall performance of individual simulators while identifying aspects that may require further investigations and possible modifications. (author) figs., tabs., 7 refs.

Combined hydrothermal liquefaction and catalytic hydrothermal gasification system and process for conversion of biomass feedstocks

Science.gov (United States)

Elliott, Douglas C.; Neuenschwander, Gary G.; Hart, Todd R.

2017-09-12

A combined hydrothermal liquefaction (HTL) and catalytic hydrothermal gasification (CHG) system and process are described that convert various biomass-containing sources into separable bio-oils and aqueous effluents that contain residual organics. Bio-oils may be converted to useful bio-based fuels and other chemical feedstocks. Residual organics in HTL aqueous effluents may be gasified and converted into medium-BTU product gases and directly used for process heating or to provide energy.

EXPANDA-75: one-dimensional diffusion code for multi-region plate lattice heterogeneous system

International Nuclear Information System (INIS)

Kikuchi, Yasuyuki; Katsuragi, Satoru; Suzuki, Tomoo; Ogitsu, Makoto.

1975-08-01

An advanced treatment has been developed for analyzing a multi-region plate lattice heterogeneous system using the coarse group constants set provided for a homogeneous system. The essential points of this treatment are modification of effective admixture cross sections and improvement of effective elastic removal cross sections. By this treatment the heterogeneity effects for flux distributions and effective cross sections in the unit cell can be reproduced accurately in comparison with the ultra fine group treatment which consumes huge amounts of computing time. Based on the present treatment and using the JAERI-Fast set, a one-dimensional diffusion code, EXPANDA-75, was developed for extensive use for analyses of fast critical experiments. The user's guide is also presented in this report. (auth.)

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)

Power-Aware DVB-H Mobile TV System on Heterogeneous Multicore Platform

Directory of Open Access Journals (Sweden)

Chao Han-Chieh

2010-01-01

Full Text Available In mobile communication network, the mobile device integrated with TV player is a novel technology that provides TV program services to end users. As TV program is a real-time video service, it has greater technical difficulties to overcome than a traditional video file download or online streaming, especially when TV programs are played on handheld devices. A challenge is how to save power in order to provide users with longer TV program services. To address this issue, this study proposes a mobile TV system on a heterogeneous multicore platform, which utilizes a Digital Video Broadcasting-Handheld (DVB-H wireless network to receive the TV program signal, thus, saving power according to the features of DVB-H TV signal and heterogeneous multi-core.

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...

Facile Fabrication of Highly Active Magnetic Aminoclay Supported Palladium Nanoparticles for the Room Temperature Catalytic Reduction of Nitrophenol and Nitroanilines

Directory of Open Access Journals (Sweden)

Lei Jia

2018-06-01

Full Text Available Magnetically recyclable nanocatalysts with excellent performance are urgent need in heterogeneous catalysis, due to their magnetic nature, which allows for convenient and efficient separation with the help of an external magnetic field. In this research, we developed a simple and rapid method to fabricate a magnetic aminoclay (AC based an AC@Fe3O4@Pd nanocatalyst by depositing palladium nanoparticles (Pd NPs on the surface of the magnetic aminoclay nanocomposite. The microstructure and the magnetic properties of as-prepared AC@Fe3O4@Pd were tested using transmission electron microscopy (TEM, energy-dispersive X-ray spectroscopy (EDS, X-ray diffraction (XRD, and vibrating sample magnetometry (VSM analyses. The resultant AC@Fe3O4@Pd nanocatalyst with the magnetic Fe-based inner shell, catalytically activate the outer noble metal shell, which when combined with ultrafine Pd NPs, synergistically enhanced the catalytic activity and recyclability in organocatalysis. As the aminoclay displayed good water dispersibility, the nanocatalyst indicated satisfactory catalytic performance in the reaction of reducing nitrophenol and nitroanilines to the corresponding aminobenzene derivatives. Meanwhile, the AC@Fe3O4@Pd nanocatalyst exhibited excellent reusability, while still maintaining good activity after several catalytic cycles.

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.

Spatial heterogeneity of biofouling under different cross-flow velocities in reverse osmosis membrane systems

KAUST Repository

Farhat, Nadia

2016-09-06

The spatially heterogeneous distribution of biofouling in spiral wound membrane systems restricts (i) the water distribution over the membrane surface and therefore (ii) the membrane-based water treatment. The objective of the study was to assess the spatial heterogeneity of biofilm development over the membrane fouling simulator (MFS) length (inlet and outlet part) at three different cross-flow velocities (0.08, 0.12 and 0.16 m/s). The MFS contained sheets of membrane and feed spacer and simulated the first 0.20 m of spiral-wound membrane modules where biofouling accumulates the most in practice. In-situ non-destructive oxygen imaging using planar optodes was applied to determine the biofilm spatially resolved activity and heterogeneity.

Identification of a Catalytically Highly Active Surface Phase for CO Oxidation over PtRh Nanoparticles under Operando Reaction Conditions

Science.gov (United States)

Hejral, U.; Franz, D.; Volkov, S.; Francoual, S.; Strempfer, J.; Stierle, A.

2018-03-01

Pt-Rh alloy nanoparticles on oxide supports are widely employed in heterogeneous catalysis with applications ranging from automotive exhaust control to energy conversion. To improve catalyst performance, an atomic-scale correlation of the nanoparticle surface structure with its catalytic activity under industrially relevant operando conditions is essential. Here, we present x-ray diffraction data sensitive to the nanoparticle surface structure combined with in situ mass spectrometry during near ambient pressure CO oxidation. We identify the formation of ultrathin surface oxides by detecting x-ray diffraction signals from particular nanoparticle facets and correlate their evolution with the sample's enhanced catalytic activity. Our approach opens the door for an in-depth characterization of well-defined, oxide-supported nanoparticle based catalysts under operando conditions with unprecedented atomic-scale resolution.

Catalytic Ozonation by Iron Coated Pumice for the Degradation of Natural Organic Matters

Directory of Open Access Journals (Sweden)

Alper Alver

2018-05-01

Full Text Available The use of iron-coated pumice (ICP in heterogeneous catalytic ozonation significantly enhanced the removal efficiency of natural organic matters (NOMs in water, due to the synergistic effect of hybrid processes when compared to sole ozonation and adsorption. Multiple characterization analyses (BET, TEM, XRD, DLS, FT-IR, and pHPZC were employed for a systematic investigation of the catalyst surface properties. This analysis indicated that the ICP crystal structure was α-FeOOH, the surface hydroxyl group of ICP was significantly increased after coating, the particle size of ICP was about 200–250 nm, the BET surface area of ICP was about 10.56 m2 g−1, the pHPZC value of ICP was about 7.13, and that enhancement by iron loading was observed in the FT-IR spectra. The contribution of surface adsorption, hydroxyl radicals, and sole ozonation to catalytic ozonation was determined as 21.29%, 66.22%, and 12.49%, respectively. The reaction kinetic analysis with tert-Butyl alcohol (TBA was used as a radical scavenger, confirming that surface ferrous iron loading promoted the role of the hydroxyl radicals. The phosphate was used as an inorganic probe, and significantly inhibited the removal efficiency of catalytic NOM ozonation. This is an indication that the reactions which occur are more dominant in the solution phase.

A multi-chip data acquisition system based on a heterogeneous system-on-chip platform

CERN Document Server

Fiergolski, Adrian

2017-01-01

The Control and Readout Inner tracking BOard (CaRIBOu) is a versatile readout system targeting a multitude of detector prototypes. It profits from the heterogeneous platform of the Zynq System-on-Chip (SoC) and integrates in a monolithic device front-end FPGA resources with a back-end software running on a hard-core ARM-based processor. The user-friendly Linux terminal with the pre-installed DAQ software is combined with the efficiency and throughput of a system fully implemented in the FPGA fabric. The paper presents the design of the SoC-based DAQ system and its building blocks. It also shows examples of the achieved functionality for the CLICpix2 readout ASIC.

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.

Heterogeneity of critical systems as the main factor determining their radiostability

International Nuclear Information System (INIS)

Gudkov, I.N.

1984-01-01

It is shown that meristem can be considered as a convenient object for investigating regularities in the propagation kinetics of cells of critical systems and mechanisms of its regulation. Critical organs are rather perfect heterogeneous systems of automatic control where processes of their propagation and functional activity occur under strict control of spectral regulation systems to provide permanent composition and amount of cells. These systems influence purposeful cell alterations when they pass separate stages of the cell cycle. They provide the formation of funds of reserve cells and reliability of functioning of these highely sensitive organism tissues

The application of Cu/SiO2 catalytic system in chemical mechanical planarization based on the stability of SiO2 sol

International Nuclear Information System (INIS)

Li Yan; Liu Yuling; Wang Aochen; Yang Zhixin; Sun Mingbin; Cheng Chuan; Zhang Yufeng; Zhang Nannan

2014-01-01

There is a lot of hydroxyl on the surface of nano SiO 2 sol used as an abrasive in the chemical mechanical planarization (CMP) process, and the chemical reaction activity of the hydroxyl is very strong due to the nano effect. In addition to providing a mechanical polishing effect, SiO 2 sol is also directly involved in the chemical reaction. The stability of SiO 2 sol was characterized through particle size distribution, zeta potential, viscosity, surface charge and other parameters in order to ensure that the chemical reaction rate in the CMP process, and the surface state of the copper film after CMP was not affected by the SiO 2 sol. Polarization curves and corrosion potential of different concentrations of SiO 2 sol showed that trace SiO 2 sol can effectively weaken the passivation film thickness. In other words, SiO 2 sol accelerated the decomposition rate of passive film. It was confirmed that the SiO 2 sol as reactant had been involved in the CMP process of copper film as reactant by the effect of trace SiO 2 sol on the removal rate of copper film in the CMP process under different conditions. In the CMP process, a small amount of SiO 2 sol can drastically alter the chemical reaction rate of the copper film, therefore, the possibility that Cu/SiO 2 as a catalytic system catalytically accelerated the chemical reaction in the CMP process was proposed. According to the van't Hoff isotherm formula and the characteristics of a catalyst which only changes the chemical reaction rate with out changing the total reaction standard Gibbs free energy, factors affecting the Cu/SiO 2 catalytic reaction were derived from the decomposition rate of Cu (OH) 2 and the pH value of the system, and then it was concluded that the CuSiO 3 as intermediates of Cu/SiO 2 catalytic reaction accelerated the chemical reaction rate in the CMP process. It was confirmed that the Cu/SiO 2 catalytic system generated the intermediate of the catalytic reaction (CuSiO 3 ) in the CMP process

Preparation of AuNPs/GQDs/SiO2 Composite and Its Catalytic Performance in Oxidation of Veratryl Alcohol

Directory of Open Access Journals (Sweden)

Yaoyao Yang

2017-01-01

Full Text Available Composites of gold nanoparticles and graphene quantum dots (AuNPs/GQDs exhibit excellent dispersibility in aqueous solutions. Thus, it is difficult to separate them from wet reaction systems when they are used as catalysts. To resolve this issue, in this study, an AuNPs/GQDs composite was immobilized on silicon dioxide through the hydrothermal method, which involved the formation of an amide bond between the surface GQDs of the AuNPs/GQDs composite and the amino group of the silane. The as-synthesized AuNPs/GQDs/SiO2 composite was found to be suitable for use as a heterogeneous catalyst for the oxidation of veratryl alcohol in water and exhibited catalytic activity comparable to that of bare AuNPs/GQDs as well as better recyclability.

Use of the potentiometric titration method to investigate heterogeneous systems including phosphorylated complexones

International Nuclear Information System (INIS)

Tereshin, G.S.; Kharitonova, L.K.; Kuznetsova, O.B.

1979-01-01

Heterogeneous systems Y(NO 3 ) 3 (YCl 3 )-Hsub(n)L-KNO 3 (KCl)-H 2 O are investigated by potentiometric titration (with coulomb-meter generation of oH - ions). Hsub(n)L is one of the following: oxyethylidendiphosphonic; aminobenzilidendiphosphonic; glycine-bis-methyl-phosphonic; nitrilotrimethylphosphonic (H 6 L) and ethylenediaminetetramethylphosphonic acids. The range of the exsistence of YHsub(nL3)LxyH 2 O has been determined. The possibility of using potentiometric titration for investigating heterogeneous systems is demonstrated by the stUdy of the system Y(NO 3 ) 3 -H 6 L-KOH-H 2 o by the method of residual concentration. The two methods have shown that at pH 3 LxyH 2 O; at pH=6, KYH 2 Lxy'H 2 O, and at pH=7, K 2 YHLxy''H 2 O. The complete solubility products of nitrilotrimethylphosphonates are evaluated

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.

Biodiesel production from castor oil using heterogeneous Ni doped ZnO nanocatalyst.

Science.gov (United States)

Baskar, G; Aberna Ebenezer Selvakumari, I; Aiswarya, R

2018-02-01

In the present study, castor oil with high free fatty acid was used for biodiesel production using heterogeneous Ni doped ZnO nanocatalyst. Ni doped ZnO nanocomposite calcinated at 800 °C has shown better catalytic activity. Process parameters on heterogeneous catalysis of castor oil into biodiesel were optimized using conventional and Response Surface Methodology (RSM). RSM was found more accurate in estimating the optimum conditions with higher biodiesel yield (95.20%). The optimum conditions for transesterification was found to be oil to methanol molar ratio of 1:8, catalyst loading 11% (w/w), reaction temperature of 55 °C for 60 min of reaction time by response surface method. The reusability studies showed that the nanocatalyst can be reused efficiently for 3 cycles. Copyright © 2017 Elsevier Ltd. All rights reserved.

Harnessing Big Data to Represent 30-meter Spatial Heterogeneity in Earth System Models

Science.gov (United States)

Chaney, N.; Shevliakova, E.; Malyshev, S.; Van Huijgevoort, M.; Milly, C.; Sulman, B. N.

2016-12-01

Terrestrial land surface processes play a critical role in the Earth system; they have a profound impact on the global climate, food and energy production, freshwater resources, and biodiversity. One of the most fascinating yet challenging aspects of characterizing terrestrial ecosystems is their field-scale (˜30 m) spatial heterogeneity. It has been observed repeatedly that the water, energy, and biogeochemical cycles at multiple temporal and spatial scales have deep ties to an ecosystem's spatial structure. Current Earth system models largely disregard this important relationship leading to an inadequate representation of ecosystem dynamics. In this presentation, we will show how existing global environmental datasets can be harnessed to explicitly represent field-scale spatial heterogeneity in Earth system models. For each macroscale grid cell, these environmental data are clustered according to their field-scale soil and topographic attributes to define unique sub-grid tiles. The state-of-the-art Geophysical Fluid Dynamics Laboratory (GFDL) land model is then used to simulate these tiles and their spatial interactions via the exchange of water, energy, and nutrients along explicit topographic gradients. Using historical simulations over the contiguous United States, we will show how a robust representation of field-scale spatial heterogeneity impacts modeled ecosystem dynamics including the water, energy, and biogeochemical cycles as well as vegetation composition and distribution.

Hot News Recommendation System from Heterogeneous Websites Based on Bayesian Model

Directory of Open Access Journals (Sweden)

Zhengyou Xia

2014-01-01

Full Text Available The most current news recommendations are suitable for news which comes from a single news website, not for news from different heterogeneous news websites. Previous researches about news recommender systems based on different strategies have been proposed to provide news personalization services for online news readers. However, little research work has been reported on utilizing hundreds of heterogeneous news websites to provide top hot news services for group customers (e.g., government staffs. In this paper, we propose a hot news recommendation model based on Bayesian model, which is from hundreds of different news websites. In the model, we determine whether the news is hot news by calculating the joint probability of the news. We evaluate and compare our proposed recommendation model with the results of human experts on the real data sets. Experimental results demonstrate the reliability and effectiveness of our method. We also implement this model in hot news recommendation system of Hangzhou city government in year 2013, which achieves very good results.

Software-Defined Radio Global System for Mobile Communications Transmitter Development for Heterogeneous Network Vulnerability Testing

Science.gov (United States)

2013-12-01

AbdelWahab, “ 2G / 3G Inter-RAT Handover Performance Analysis,” Second European Conference on Antennas and Propagation, pp. 1, 8, 11–16, Nov. 2007. [19] J...RADIO GLOBAL SYSTEM FOR MOBILE COMMUNICATIONS TRANSMITTER DEVELOPMENT FOR HETEROGENEOUS NETWORK VULNERABILITY TESTING by Carson C. McAbee... MOBILE COMMUNICATIONS TRANSMITTER DEVELOPMENT FOR HETEROGENEOUS NETWORK VULNERABILITY TESTING 5. FUNDING NUMBERS 6. AUTHOR(S) Carson C. McAbee

PEEM microscopy and DFT calculations of catalytically active platinum surfaces and interfaces

International Nuclear Information System (INIS)

Spiel, C.

2012-01-01

CO, pO2, T) in one of both steady states depending on the system's prehistory. The bistable reaction kinetics can be studied globally with QMS, and the positions of the global transition points τ A and τ B in parameter space can be obtained this way. Based on a series of experiments, a global kinetic phase diagram can be established that is a useful tool to characterize the average behavior of a heterogeneous sample. In turn, using PEEM the kinetic phase transition points can also be obtained in a laterally-resolved way for each individual surface domain by analyzing local PEEM intensity variations. In the present work, QMS and PEEM experiments were performed, from which both global and laterally-resolved kinetic phase diagrams of polycrystalline platinum foil and, correspondingly, its [100]-, [110]- and [111]-oriented domains were obtained. The kinetic phase diagrams were measured both for constant oxygen partial pressure and varying temperatures as well as for constant temperature and varying oxygen partial pressure. Besides that, kinetic transitions that trigger catalytic ignition and extinction of the CO oxidation reaction were also studied in situ on the same sample and compared to results from experiments using field ion microscopy (FIM). The second part of this thesis consisted of a theoretical study of CeO 2 monolayers adsorbed on the Pt(111) surface. For this purpose, density functional theory (DFT) was applied in the implementation of the WIEN2k software package. (author) [de

ISOBUTANOL FROM SYNGAS IN A THREE PHASE SYSTEM

Energy Technology Data Exchange (ETDEWEB)

Peter Tijrn

2002-12-29

With growing interest in oxygenates as octane booster for automotive fuels, various synthesis routes for these chemicals are being investigated. Among others, alternative routes to isobutene, the C4-components in MTBE-synthesis are under investigation. A promising path to isobutene is the heterogeneously catalyzed CO-hydrogenation to isobutanol with following dehydration (Fig. 1). As shown by thermodynamical studies, the heterogeneously catalyzed CO-hydrogenation to isobutanol is not expected to experience any thermodynamic constraints. However, heterogeneous hydrogenation of CO is a very exothermic process, a problem which can only be partly solved when being conducted in a plug flow reactor. When carried out in reaction vessels with moving catalyst bed (e.g. three phase stirred tank), heat transfer problems can be resolved, along with additional benefits connected with this reactor type. Several heterogeneous catalytic systems have been under investigation for their capability of isobutanol synthesis from syngas. Most promising catalysts for an active and selective isobutanol synthesis from CO are modified high temperature methanol catalysts.

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.

Spatial snowdrift game in heterogeneous agent systems with co-evolutionary strategies and updating rules

International Nuclear Information System (INIS)

Xia Hai-Jiang; Li Ping-Ping; Ke Jian-Hong; Lin Zhen-Quan

2015-01-01

We propose an evolutionary snowdrift game model for heterogeneous systems with two types of agents, in which the inner-directed agents adopt the memory-based updating rule while the copycat-like ones take the unconditional imitation rule; moreover, each agent can change his type to adopt another updating rule once the number he sequentially loses the game at is beyond his upper limit of tolerance. The cooperative behaviors of such heterogeneous systems are then investigated by Monte Carlo simulations. The numerical results show the equilibrium cooperation frequency and composition as functions of the cost-to-benefit ratio r are both of plateau structures with discontinuous steplike jumps, and the number of plateaux varies non-monotonically with the upper limit of tolerance ν T as well as the initial composition of agents f a0 . Besides, the quantities of the cooperation frequency and composition are dependent crucially on the system parameters including ν T , f a0 , and r. One intriguing observation is that when the upper limit of tolerance is small, the cooperation frequency will be abnormally enhanced with the increase of the cost-to-benefit ratio in the range of 0 < r < 1/4. We then probe into the relative cooperation frequencies of either type of agents, which are also of plateau structures dependent on the system parameters. Our results may be helpful to understand the cooperative behaviors of heterogenous agent systems. (paper)

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.

Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus–Nitrogen PN3–Pincer Ligand Containing a Phenanthroline Backbone

KAUST Repository

Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei

2017-01-01

Selective catalytic hydrogenation of aromatic compounds is extremely challenging using transition-metal catalysts. Hydrogenation of arenols to substituted tetrahydronaphthols or cyclohexanols has been reported only with heterogeneous catalysts. Herein, we demonstrate the selective hydrogenation of arenols to the corresponding tetrahydronaphthols or cyclohexanols catalyzed by a phenanthroline-based PN3-ruthenium pincer catalyst.

Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus–Nitrogen PN3–Pincer Ligand Containing a Phenanthroline Backbone

KAUST Repository

Li, Huaifeng

2017-05-30

Selective catalytic hydrogenation of aromatic compounds is extremely challenging using transition-metal catalysts. Hydrogenation of arenols to substituted tetrahydronaphthols or cyclohexanols has been reported only with heterogeneous catalysts. Herein, we demonstrate the selective hydrogenation of arenols to the corresponding tetrahydronaphthols or cyclohexanols catalyzed by a phenanthroline-based PN3-ruthenium pincer catalyst.

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

Multi-stage selective catalytic reduction of NOx in lean burn engine exhaust

Energy Technology Data Exchange (ETDEWEB)

Penetrante, B.M.; Hsaio, M.C.; Merritt, B.T.; Vogtlin, G.E. [Lawrence Livermore National Lab., CA (United States)

1997-12-31

Many studies suggest that the conversion of NO to NO{sub 2} is an important intermediate step in the selective catalytic reduction (SCR) of NO{sub x} to N{sub 2}. Some effort has been devoted to separating the oxidative and reductive functions of the catalyst in a multi-stage system. This method works fine for systems that require hydrocarbon addition. The hydrocarbon has to be injected between the NO oxidation catalyst and the NO{sub 2} reduction catalyst; otherwise, the first-stage oxidation catalyst will also oxidize the hydrocarbon and decrease its effectiveness as a reductant. The multi-stage catalytic scheme is appropriate for diesel engine exhausts since they contain insufficient hydrocarbons for SCR, and the hydrocarbons can be added at the desired location. For lean-burn gasoline engine exhausts, the hydrocarbons already present in the exhausts will make it necessary to find an oxidation catalyst that can oxidize NO to NO{sub 2} but not oxidize the hydrocarbon. A plasma can also be used to oxidize NO to NO{sub 2}. Plasma oxidation has several advantages over catalytic oxidation. Plasma-assisted catalysis can work well for both diesel engine and lean-burn gasoline engine exhausts. This is because the plasma can oxidize NO in the presence of hydrocarbons without degrading the effectiveness of the hydrocarbon as a reductant for SCR. In the plasma, the hydrocarbon enhances the oxidation of NO, minimizes the electrical energy requirement, and prevents the oxidation of SO{sub 2}. This paper discusses the use of multi-stage systems for selective catalytic reduction of NO{sub x}. The multi-stage catalytic scheme is compared to the plasma-assisted catalytic scheme.

LiFePO4 microcrystals as an efficient heterogeneous Fenton-like catalyst in degradation of rhodamine 6G.

Science.gov (United States)

Li, Zhan Jun; Ali, Ghafar; Kim, Hyun Jin; Yoo, Seong Ho; Cho, Sung Oh

2014-01-01

We present a novel heterogeneous Fenton-like catalyst of LiFePO4 (LFP). LFP has been widely used as an electrode material of a lithium ion battery, but we observed that commercial LFP (LFP-C) could act as a good Fenton-like catalyst to decompose rhodamine 6G. The catalytic activity of LFP-C microparticles was much higher than a popular catalyst, magnetite nanoparticles. Furthermore, we found that the catalytic activity of LFP-C could be further increased by increasing the specific surface area. The reaction rate constant of the hydrothermally synthesized LFP microcrystals (LFP-H) is at least 18 times higher than that of magnetite nanoparticles even though the particle size of LFP is far larger than magnetite nanoparticles. The LFP catalysts also exhibited a good recycling behavior and high stability under an oxidizing environment. The effects of the experimental parameters such as the concentration of the catalysts, pH, and the concentration of hydrogen peroxide on the catalytic activity of LFP were also analyzed.

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.

Radiation-induced heterogeneity of chymotrypsin of mus musculus. On the characterization of structurally and functionally in vitro modified enzyme forms

International Nuclear Information System (INIS)

Amneus, H.

1976-01-01

The distribution of in vitro induced 60 Co-γ (structural heterogeneity of mouse chymotrypsin has been studied in terms of molecular weight, catalytic activity and net charge distribution. It was found that the enzyme stucture, with retained molecular weight, could partly accumulate structural changes subsequently not leading to modification of catalytic properties. Loss of petide fragments (0 < Mw (lt 6000) the enzyme showed native function but also modified as well as total loss of function. Further loss of peptide fragments results in modified function and total loss of function. These results indicate the capability of the enzyme to accumulate in vitro changes partly without a total loss of function. (author)

Unobserved heterogeneity in the power law nonhomogeneous Poisson process

International Nuclear Information System (INIS)

Asfaw, Zeytu Gashaw; Lindqvist, Bo Henry

2015-01-01

A study of possible consequences of heterogeneity in the failure intensity of repairable systems is presented. The basic model studied is the nonhomogeneous Poisson process with power law intensity function. When several similar systems are under observation, the assumption that the corresponding processes are independent and identically distributed is often questionable. In practice there may be an unobserved heterogeneity among the systems. The heterogeneity is modeled by introduction of unobserved gamma distributed frailties. The relevant likelihood function is derived, and maximum likelihood estimation is illustrated. In a simulation study we then compare results when using a power law model without taking into account heterogeneity, with the corresponding results obtained when the heterogeneity is accounted for. A motivating data example is also given. - Highlights: • Consequences of overlooking heterogeneity in similar repairable systems are studied. • Likelihood functions are established for power law NHPP w/ and w/o heterogeneity. • ML estimators for parameters of power law NHPP with heterogeneity are derived. • A simulation study shows the effects of heterogeneity and its ignorance in models

A Heterogeneous Multi-core Architecture with a Hardware Kernel for Control Systems

DEFF Research Database (Denmark)

Li, Gang; Guan, Wei; Sierszecki, Krzysztof

2012-01-01

Rapid industrialisation has resulted in a demand for improved embedded control systems with features such as predictability, high processing performance and low power consumption. Software kernel implementation on a single processor is becoming more difficult to satisfy those constraints. This pa......Rapid industrialisation has resulted in a demand for improved embedded control systems with features such as predictability, high processing performance and low power consumption. Software kernel implementation on a single processor is becoming more difficult to satisfy those constraints......). Second, a heterogeneous multi-core architecture is investigated, focusing on its performance in relation to hard real-time constraints and predictable behavior. Third, the hardware implementation of HARTEX is designated to support the heterogeneous multi-core architecture. This hardware kernel has...... several advantages over a similar kernel implemented in software: higher-speed processing capability, parallel computation, and separation between the kernel itself and the applications being run. A microbenchmark has been used to compare the hardware kernel with the software kernel, and compare...

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.

Spatial coupling in heterogeneous catalysis

Science.gov (United States)

Yamamoto, S. Y.; Surko, C. M.; Maple, M. B.

1995-11-01

Spatial coupling mechanisms are studied in the heterogeneous catalytic oxidation of carbon monoxide over platinum at atmospheric pressure under oscillatory conditions. Experiments are conducted in a continuous flow reactor, and the reaction rate is monitored using both infrared imaging and thermocouples. The catalysts are in the form of platinum annular thin films on washer-shaped quartz substrates, and they provide highly repeatable oscillatory behavior. Oscillations are typically spatially synchronized with the entire catalyst ``flashing'' on and off uniformly. Spatial coupling is investigated by introducing various barriers which split the annular ring in half. Infrared images show that coupling through the gas phase dominates coupling via the diffusion of CO on the surface or heat diffusion through the substrate. The introduction of a localized heat perturbation to the catalyst surface does not induce a transition in the reaction rate. Thus, it is likely that the primary mode of communication is through the gas-phase diffusion of reactants.

Enhanced Hydrothermal Stability and Catalytic Performance of HKUST-1 by Incorporating Carboxyl-Functionalized Attapulgite.

Science.gov (United States)

Yuan, Bo; Yin, Xiao-Qian; Liu, Xiao-Qin; Li, Xing-Yang; Sun, Lin-Bing

2016-06-29

Much attention has been paid to metal-organic frameworks (MOFs) due to their large surface areas, tunable functionality, and diverse structure. Nevertheless, most reported MOFs show poor hydrothermal stability, which seriously hinders their applications. Here a strategy is adopted to tailor the properties of MOFs by means of incorporating carboxyl-functionalized natural clay attapulgite (ATP) into HKUST-1, a well-known MOF. A new type of hybrid material was thus fabricated from the hybridization of HKUST-1 and ATP. Our results indicated that the hydrothermal stability of the MOFs as well as the catalytic performance was apparently improved. The frameworks of HKUST-1 were severely destroyed after hydrothermal treatment (hot water vapor, 60 °C), while that of the hybrid materials was maintained. For the hybrid materials containing 8.4 wt % of ATP, the surface area reached 1302 m(2)·g(-1) and was even higher than that of pristine HKUST-1 (1245 m(2)·g(-1)). In the ring-opening of styrene oxide, the conversion reached 98.9% at only 20 min under catalysis from the hybrid material, which was obviously higher than that over pristine HKUST-1 (80.9%). Moreover, the hybrid materials showed excellent reusability and the catalytic activity was recoverable without loss after six cycles. Our materials provide promising candidates for heterogeneous catalysis owing to the good catalytic activity and reusability.

CATALYTIC SPECTROPHOTOMETRIC DETERMINATION OF Mn(II ...

African Journals Online (AJOL)

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method is based on the catalytic effect of Mn(II) with the oxidation of Celestine blue .... water samples were filtered through a 0.45 μm pore size membrane filter to remove suspended .... slope of the calibration graph as the optimization criterion. ..... In presence of Phen as stability enhancement agent in indicator system. ( ) +.

Application of BiFeO3-based on nickel foam composites with a highly efficient catalytic activity and easily recyclable in Fenton-like process under microwave irradiation

Science.gov (United States)

Li, Shuo; Zhang, Guangshan; Zheng, Heshan; Zheng, Yongjie; Wang, Peng

2018-05-01

In this study, BiFeO3 (BFO) powders decorated on nickel foam (NF) with a high catalytic activity are prepared via a one-step microwave-assisted hydrothermal method. The factors that influence the degradation of bisphenol A (BPA) with BFO/NFs as catalysts are optimized to improve the catalytic activity in a microwave-enhanced Fenton-like process. BFO/NF exhibit a superior catalytic activity with a high BPA removal ratio (98.4%) and TOC removal ratio (69.5%) within 5 min. Results indicate that NF significantly affect the improvement of the catalytic activity of BFO because it served as a source of hydroxyl radicals (•OH) during degradation. The amount of •OH generated by BFO/NF is approximately 1.65-fold higher than that by pure BFO. After six reaction cycles, the stability and reusability of •OH remain high. These findings provide new insights into the synthesis of composites on heterogeneous catalysts with high efficiency and easy recyclability for water treatment applications.

Arrester Resistive Current Measuring System Based on Heterogeneous Network

Science.gov (United States)

Zhang, Yun Hua; Li, Zai Lin; Yuan, Feng; Hou Pan, Feng; Guo, Zhan Nan; Han, Yue

2018-03-01

Metal Oxide Arrester (MOA) suffers from aging and poor insulation due to long-term impulse voltage and environmental impact, and the value and variation tendency of resistive current can reflect the health conditions of MOA. The common wired MOA detection need to use long cables, which is complicated to operate, and that wireless measurement methods are facing the problems of poor data synchronization and instability. Therefore a novel synchronous measurement system of arrester current resistive based on heterogeneous network is proposed, which simplifies the calculation process and improves synchronization, accuracy and stability and of the measuring system. This system combines LoRa wireless network, high speed wireless personal area network and the process layer communication, and realizes the detection of arrester working condition. Field test data shows that the system has the characteristics of high accuracy, strong anti-interference ability and good synchronization, which plays an important role in ensuring the stable operation of the power grid.

Kinetic modelling of NO heterogeneous radiation-catalytic oxidation on the TiO2 surface in humid air under the electron beam irradiation

Directory of Open Access Journals (Sweden)

Nichipor Henrietta

2017-09-01

Full Text Available Theoretical study of NOx removal from humid air by a hybrid system (catalyst combined with electron beam was carried out. The purpose of this work is to study the possibility to decrease energy consumption for NOx removal. The kinetics of radiation catalytic oxidation of NO on the catalyst TiO2 surface under electron beam irradiation was elaborated. Program Scilab 5.3.0 was used for numerical simulations. Influential parameters such as inlet NO concentration, dose, gas fl ow rate, water concentration and catalyst contents that can affect NOx removal efficiency were studied. The results of calculation show that the removal efficiency of NOx might be increased by 8-16% with the presence of a catalyst in the gas irradiated field.

Catalytic activity of bimetal-containing Co,Pd systems in the oxidation of carbon monoxide

Science.gov (United States)

Oleksenko, L. P.; Lutsenko, L. V.

2013-02-01

The catalytic activity of low-percentage Co,Pd systems on ZSM-5, ERI, SiO2, and Al2O3 supports in the oxidation of CO was studied. The activity of bimetal-containing catalysts was shown to depend on the nature of the catalyst and the amount and ratio of their active components. According to the results of thermoprogrammed reduction with H2 (H2 TPR) and X-ray photoelectron spectroscopy (XPS) data, the metals are distributed as isolated cations or Coδ+-O-Pdδ+ clusters with cobalt and palladium cations surrounded by off-lattice oxygen in Co,Pd systems. The 0.8% Co,0.5% Pd-ZSM-5 bimetal catalysts were found to be more active due to the presence of clusters.

Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

Science.gov (United States)

Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

2018-04-01

Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

Metal Fluorides, Metal Chlorides and Halogenated Metal Oxides as Lewis Acidic Heterogeneous Catalysts. Providing Some Context for Nanostructured Metal Fluorides.

Science.gov (United States)

Lennon, David; Winfield, John M

2017-01-28

Aspects of the chemistry of selected metal fluorides, which are pertinent to their real or potential use as Lewis acidic, heterogeneous catalysts, are reviewed. Particular attention is paid to β-aluminum trifluoride, aluminum chlorofluoride and aluminas γ and η, whose surfaces become partially fluorinated or chlorinated, through pre-treatment with halogenating reagents or during a catalytic reaction. In these cases, direct comparisons with nanostructured metal fluorides are possible. In the second part of the review, attention is directed to iron(III) and copper(II) metal chlorides, whose Lewis acidity and potential redox function have had important catalytic implications in large-scale chlorohydrocarbons chemistry. Recent work, which highlights the complexity of reactions that can occur in the presence of supported copper(II) chloride as an oxychlorination catalyst, is featured. Although direct comparisons with nanostructured fluorides are not currently possible, the work could be relevant to possible future catalytic developments in nanostructured materials.

System catalytic neutralization control of combustion engines waste gases in mining technologies

Science.gov (United States)

Korshunov, G. I.; Solnitsev, R. I.

2017-10-01

The paper presents the problems solution of the atmospheric air pollution with the exhaust gases of the internal combustion engines, used in mining technologies. Such engines are used in excavators, bulldozers, dump trucks, diesel locomotives in loading and unloading processes and during transportation of minerals. NOx, CO, CH emissions as the waste gases occur during engine operation, the concentration of which must be reduced to the standard limits. The various methods and means are used for the problem solution, one of which is neutralization based on platinum catalysts. A mathematical model of a controlled catalytic neutralization system is proposed. The simulation results confirm the increase in efficiency at start-up and low engine load and the increase in the catalyst lifetime.

A FAST AND ELITIST BI-OBJECTIVE EVOLUTIONARY ALGORITHM FOR SCHEDULING INDEPENDENT TASKS ON HETEROGENEOUS SYSTEMS

Directory of Open Access Journals (Sweden)

G.Subashini

2010-07-01

Full Text Available To meet the increasing computational demands, geographically distributed resources need to be logically coupled to make them work as a unified resource. In analyzing the performance of such distributed heterogeneous computing systems scheduling a set of tasks to the available set of resources for execution is highly important. Task scheduling being an NP-complete problem, use of metaheuristics is more appropriate in obtaining optimal solutions. Schedules thus obtained can be evaluated using several criteria that may conflict with one another which require multi objective problem formulation. This paper investigates the application of an elitist Nondominated Sorting Genetic Algorithm (NSGA-II, to efficiently schedule a set of independent tasks in a heterogeneous distributed computing system. The objectives considered in this paper include minimizing makespan and average flowtime simultaneously. The implementation of NSGA-II algorithm and Weighted-Sum Genetic Algorithm (WSGA has been tested on benchmark instances for distributed heterogeneous systems. As NSGA-II generates a set of Pareto optimal solutions, to verify the effectiveness of NSGA-II over WSGA a fuzzy based membership value assignment method is employed to choose the best compromise solution from the obtained Pareto solution set.

Catalytic oxidation of albendazole using molybdenum supported on carbon nanotubes as catalyst

International Nuclear Information System (INIS)

Sun-Kou, Maria del Rosario; Vega Carrasco, Edgar R.; Picasso Escobar, Gino I.

2013-01-01

The catalytic oxidation reaction of the thioether group (-S-) in the structure to the drug albendazole (C 12 H 15 N 3 O 2 S) was studied in order to obtain a pharmacologically active molecule known as albendazole sulfoxide. With this purpose, three heterogeneous catalysts were prepared using molybdenum (Mo) as active phase and carbon nanotubes as a multiple-layer catalyst support. The incorporation of the active phase was performed by wet impregnation, with subsequent calcination for 4 hours at 400 o C. For the catalytic oxidation reaction was employed hydrogen peroxide-urea (H 2 NCONH 2 ·H 2 O 2 ) as oxidizing agent and methanol (CH 3 OH) as reaction medium. The textural and morphology characterization of carbon nanoparticles and catalysts was carried out by adsorption-desorption of N 2 (BET) and scanning electron microscopy (SEM). The identification and quantification of the reaction products were followed by Fourier transform infrared spectroscopy (FTIR) and high performance liquid chromatography (HPLC), respectively. With the yield, selectivity and conversion higher than 90% after 60 minutes of reaction, albendazole sulphoxide was obtained as major product of oxidation reaction. (author)

Liquid-phase pulsed laser ablation synthesis of graphitized carbon-encapsulated palladium core–shell nanospheres for catalytic reduction of nitrobenzene to aniline

Energy Technology Data Exchange (ETDEWEB)

Kim, Yu-jin; Ma, Rory; Reddy, D. Amaranatha; Kim, Tae Kyu, E-mail: tkkim@pusan.ac.kr

2015-12-01

Graphical abstract: - Highlights: • Graphitized carbon-encapsulated palladium core–shell nanospheres fabricated by laser ablation. • Physical characterizations of synthesized Pd@C nanospheres. • Assessments of catalytic performance of Pd@C nanospheres for the reduction of nitrobenzene to aniline. • Significant improvement of the catalytic activity due to the graphitized carbon-layered structure and the high specific surface area. - Abstract: Graphitized carbon-encapsulated palladium (Pd) core–shell nanospheres were produced via pulsed laser ablation of a solid Pd foil target submerged in acetonitrile. The microstructural features and optical properties of these nanospheres were characterized via high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible spectroscopy. Microstructural analysis indicated that the core–shell nanostructures consisted of single-crystalline cubic metallic Pd spheres that serve as the core material, over which graphitized carbon was anchored as a heterogeneous shell. The absorbance spectrum of the synthesized nanostructures exhibited a broad (absorption) band at ∼264 nm; this band corresponded to the typical inter-band transition of a metallic system and resulted possibly from the absorbance of the ionic Pd{sup 2+}. The catalytic properties of the Pd and Pd@C core–shell nanostructures were investigated using the reduction of nitrobenzene to aniline by an excess amount of NaBH{sub 4} in an aqueous solution at room temperature, as a model reaction. Owing to the graphitized carbon-layered structure and the high specific surface area, the resulting Pd@C nanostructures exhibited higher conversion efficiencies than their bare Pd counterparts. In fact, the layered structure provided access to the surface of the Pd nanostructures for the hydrogenation reaction, owing to the synergistic effect between graphitized carbon and the nanostructures. Their

Liquid-phase pulsed laser ablation synthesis of graphitized carbon-encapsulated palladium core–shell nanospheres for catalytic reduction of nitrobenzene to aniline

International Nuclear Information System (INIS)

Kim, Yu-jin; Ma, Rory; Reddy, D. Amaranatha; Kim, Tae Kyu

2015-01-01

Graphical abstract: - Highlights: • Graphitized carbon-encapsulated palladium core–shell nanospheres fabricated by laser ablation. • Physical characterizations of synthesized Pd@C nanospheres. • Assessments of catalytic performance of Pd@C nanospheres for the reduction of nitrobenzene to aniline. • Significant improvement of the catalytic activity due to the graphitized carbon-layered structure and the high specific surface area. - Abstract: Graphitized carbon-encapsulated palladium (Pd) core–shell nanospheres were produced via pulsed laser ablation of a solid Pd foil target submerged in acetonitrile. The microstructural features and optical properties of these nanospheres were characterized via high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible spectroscopy. Microstructural analysis indicated that the core–shell nanostructures consisted of single-crystalline cubic metallic Pd spheres that serve as the core material, over which graphitized carbon was anchored as a heterogeneous shell. The absorbance spectrum of the synthesized nanostructures exhibited a broad (absorption) band at ∼264 nm; this band corresponded to the typical inter-band transition of a metallic system and resulted possibly from the absorbance of the ionic Pd 2+ . The catalytic properties of the Pd and Pd@C core–shell nanostructures were investigated using the reduction of nitrobenzene to aniline by an excess amount of NaBH 4 in an aqueous solution at room temperature, as a model reaction. Owing to the graphitized carbon-layered structure and the high specific surface area, the resulting Pd@C nanostructures exhibited higher conversion efficiencies than their bare Pd counterparts. In fact, the layered structure provided access to the surface of the Pd nanostructures for the hydrogenation reaction, owing to the synergistic effect between graphitized carbon and the nanostructures. Their unique

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

Molecular surface science of heterogeneous catalysis. History and perspective

International Nuclear Information System (INIS)

Somorjai, G.A.

1983-08-01

A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH 3 synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures

Molecular surface science of heterogeneous catalysis. History and perspective

Energy Technology Data Exchange (ETDEWEB)

Somorjai, G.A.

1983-08-01

A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH/sub 3/ synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures. (DLC)

Catalytic amino acid production from biomass-derived intermediates

KAUST Repository

Deng, Weiping

2018-04-30

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical methods to convert abundant and renewable feedstocks into amino acids has been largely unsuccessful to date. To that end, here we report a heterogeneous catalyst that directly transforms lignocellulosic biomass-derived α-hydroxyl acids into α-amino acids, including alanine, leucine, valine, aspartic acid, and phenylalanine in high yields. The reaction follows a dehydrogenation-reductive amination pathway, with dehydrogenation as the rate-determining step. Ruthenium nanoparticles supported on carbon nanotubes (Ru/CNT) exhibit exceptional efficiency compared with catalysts based on other metals, due to the unique, reversible enhancement effect of NH3 on Ru in dehydrogenation. Based on the catalytic system, a two-step chemical process was designed to convert glucose into alanine in 43% yield, comparable with the well-established microbial cultivation process, and therefore, the present strategy enables a route for the production of amino acids from renewable feedstocks. Moreover, a conceptual process design employing membrane distillation to facilitate product purification is proposed and validated. Overall, this study offers a rapid and potentially more efficient chemical method to produce amino acids from woody biomass components.

Gamma ray scanner systems for nondestructive assay of heterogeneous waste barrels

International Nuclear Information System (INIS)

Martz, H.E.; Decman, B.J.; Roberson, G.P.; Levai, F.

1997-01-01

Traditional gamma safeguards measurements have usually been performed using a segmented gamma scanning (SGS) system. The accuracy of this technique relies on the assumption that the sample matrix and the activity are both uniform for a segment. Waste barrels are often highly heterogeneous, span a wide range of composition and matrix type. The primary sources of error are all directly or indirectly related to a non-uniform measurement response associated with unknown radioactive source spatial distribution and heterogeneity of the matrix. These errors can be significantly reduced by some imaging techniques that measure exact spatial locations of sources and attenuation maps. In this paper we describe a joint R ampersand D effort between the Lawrence Livermore National Laboratory (LLNL) and the Institute of Nuclear Techniques (INT) of the Technical University, Budapest, to compare results obtained by two different gamma-ray nondestructive assay (NDA) systems used for imaging waste barrels. The basic principles are the same, but the approaches are different. Key factors to judge the adequacy of a method are the detection limit and the accuracy. Test drums representing waste to be measured are used to determine basic parameters of these techniques

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.

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.

High Pressure Scanning Tunneling Microscopy Studies of Adsorbate Structure and Mobility during Catalytic Reactions. Novel Design of an Ultra High Pressure, High Temperature Scanning Tunneling Microscope System for Probing Catalytic Conversions

International Nuclear Information System (INIS)

Tang, David Chi-Wai

2005-01-01

The aim of the work presented therein is to take advantage of scanning tunneling microscope's (STM) capability for operation under a variety of environments under real time and at atomic resolution to monitor adsorbate structures and mobility under high pressures, as well as to design a new generation of STM systems that allow imaging in situ at both higher pressures (35 atm) and temperatures (350 C). The design of a high pressure, high temperature scanning tunneling microscope system, that is capable of monitoring reactions in situ at conditions from UHV and ambient temperature up to 1 atm and 250 C, is briefly presented along with vibrational and thermal analysis, as this system serves as a template to improve upon during the design of the new ultra high pressure, high temperature STM. Using this existing high pressure scanning tunneling microscope we monitored the co-adsorption of hydrogen, ethylene and carbon dioxide on platinum (111) and rhodium (111) crystal faces in the mTorr pressure range at 300 K in equilibrium with the gas phase. During the catalytic hydrogenation of ethylene to ethane in the absence of CO the metal surfaces are covered by an adsorbate layer that is very mobile on the time scale of STM imaging. We found that the addition of CO poisons the hydrogenation reaction and induces ordered structures on the single crystal surfaces. Several ordered structures were observed upon CO addition to the surfaces pre-covered with hydrogen and ethylene: a rotated (√19 x √19)R23.4 o on Pt(111), and domains of c(4 x 2)-CO+C 2 H 3 , previously unobserved (4 x 2)-CO+3C 2 H 3 , and (2 x 2)-3CO on Rh(111). A mechanism for CO poisoning of ethylene hydrogenation on the metal single crystals was proposed, in which CO blocks surface metal sites and reduces adsorbate mobility to limit adsorption and reaction rate of ethylene and hydrogen. In order to observe heterogeneous catalytic reactions that occur well above ambient pressure and temperature that more closely

System-on-Chip Environment: A SpecC-Based Framework for Heterogeneous MPSoC Design

Directory of Open Access Journals (Sweden)

Daniel D. Gajski

2008-07-01

Full Text Available The constantly growing complexity of embedded systems is a challenge that drives the development of novel design automation techniques. C-based system-level design addresses the complexity challenge by raising the level of abstraction and integrating the design processes for the heterogeneous system components. In this article, we present a comprehensive design framework, the system-on-chip environment (SCE which is based on the influential SpecC language and methodology. SCE implements a top-down system design flow based on a specify-explore-refine paradigm with support for heterogeneous target platforms consisting of custom hardware components, embedded software processors, dedicated IP blocks, and complex communication bus architectures. Starting from an abstract specification of the desired system, models at various levels of abstraction are automatically generated through successive step-wise refinement, resulting in a pin-and cycle-accurate system implementation. The seamless integration of automatic model generation, estimation, and verification tools enables rapid design space exploration and efficient MPSoC implementation. Using a large set of industrial-strength examples with a wide range of target architectures, our experimental results demonstrate the effectiveness of our framework and show significant productivity gains in design time.

A 1998 Workshop on Heterogeneous Computing

Science.gov (United States)

1998-09-18

Programming Heterogenous Computing Systems? Panel Chair: GulA. Agha, University of Illinois, Urbana -Champaign, IL, USA Modular Heterogeneous System...electrical engineering from the University of Illinois, Urbana -Champaign, in 1975. She worked at the I.B.M. T.J. Watson Research Center with the...Distributed System Environment". I Encuentro de Computaciön. Taller de Sistemas Distribuidos y Paralelos. Memorias . Queretaro, Qro. Mexico. September 1997

Well-Controlled Cell-Trapping Systems for Investigating Heterogeneous Cell-Cell Interactions.

Science.gov (United States)

Kamiya, Koki; Abe, Yuta; Inoue, Kosuke; Osaki, Toshihisa; Kawano, Ryuji; Miki, Norihisa; Takeuchi, Shoji

2018-03-01

Microfluidic systems have been developed for patterning single cells to study cell-cell interactions. However, patterning multiple types of cells to understand heterogeneous cell-cell interactions remains difficult. Here, it is aimed to develop a cell-trapping device to assemble multiple types of cells in the well-controlled order and morphology. This device mainly comprises a parylene sheet for assembling cells and a microcomb for controlling the cell-trapping area. The cell-trapping area is controlled by moving the parylene sheet on an SU-8 microcomb using tweezers. Gentle downward flow is used as a driving force for the cell-trapping. The assembly of cells on a parylene sheet with round and line-shaped apertures is demonstrated. The cell-cell contacts of the trapped cells are then investigated by direct cell-cell transfer of calcein via connexin nanopores. Finally, using the device with a system for controlling the cell-trapping area, three different types of cells in the well-controlled order are assembled. The correct cell order rate obtained using the device is 27.9%, which is higher than that obtained without the sliding parylene system (0.74%). Furthermore, the occurrence of cell-cell contact between the three cell types assembled is verified. This cell-patterning device will be a useful tool for investigating heterogeneous cell-cell interactions. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydrogen Recombination Rates of Plate-type Passive Auto-catalytic Recombiner

Energy Technology Data Exchange (ETDEWEB)

Kim, Jongtae; Hong, Seong-Wan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Kim, Gun Hong [Kyungwon E-C Co., Seongnam (Korea, Republic of)

2014-10-15

The hydrogen mitigation system may include igniters, passive autocatalytic recombiner (PAR), and venting or dilution system. Recently PAR is commonly used as a main component of HMS in a NPP containment because of its passive nature. PARs are categorized by the shape and material of catalytic surface. Catalytic surface coated by platinum is mostly used for the hydrogen recombiners. The shapes of the catalytic surface can be grouped into plate type, honeycomb type and porous media type. Among them, the plate-type PAR is well tested by many experiments. PAR performance analysis can be approached by a multi-scale method which is composed of micro, meso and macro scales. The criterion of the scaling is the ratio of thickness of boundary layer developed on a catalytic surface to representative length of a computational domain. Mass diffusion in the boundary layer must be resolved in the micro scale analysis. In a lumped parameter (LP) analysis using a system code such as MAAP or MELCOR, the chamber of the PAR is much smaller than a computational node. The hydrogen depletion by a PAR is modeled as a source of mass and energy conservation equations. Te catalytic surface reaction of hydrogen must be modeled by a volume-averaged correlation. In this study, a micro scale analysis method is developed using libraries in OpenFOAM to evaluate a hydrogen depletion rate depending on parameters such as size and number of plates and plate arrangement. The analysis code is validated by simulating REKO-3 experiment. And hydrogen depletion analysis is conducted by changing the plate arrangement as a trial of the performance enhancement of a PAR. In this study, a numerical code for an analysis of a PAR performance in a micro scale has been developed by using OpenFOAM libraries. The physical and numerical models were validated by simulating the REKO-3 experiment. As a try to enhance the performance of the plate-type PAR, it was proposed to apply a staggered two-layer arrangement of the

Hydrogen Recombination Rates of Plate-type Passive Auto-catalytic Recombiner

International Nuclear Information System (INIS)

Kim, Jongtae; Hong, Seong-Wan; Kim, Gun Hong

2014-01-01

The hydrogen mitigation system may include igniters, passive autocatalytic recombiner (PAR), and venting or dilution system. Recently PAR is commonly used as a main component of HMS in a NPP containment because of its passive nature. PARs are categorized by the shape and material of catalytic surface. Catalytic surface coated by platinum is mostly used for the hydrogen recombiners. The shapes of the catalytic surface can be grouped into plate type, honeycomb type and porous media type. Among them, the plate-type PAR is well tested by many experiments. PAR performance analysis can be approached by a multi-scale method which is composed of micro, meso and macro scales. The criterion of the scaling is the ratio of thickness of boundary layer developed on a catalytic surface to representative length of a computational domain. Mass diffusion in the boundary layer must be resolved in the micro scale analysis. In a lumped parameter (LP) analysis using a system code such as MAAP or MELCOR, the chamber of the PAR is much smaller than a computational node. The hydrogen depletion by a PAR is modeled as a source of mass and energy conservation equations. Te catalytic surface reaction of hydrogen must be modeled by a volume-averaged correlation. In this study, a micro scale analysis method is developed using libraries in OpenFOAM to evaluate a hydrogen depletion rate depending on parameters such as size and number of plates and plate arrangement. The analysis code is validated by simulating REKO-3 experiment. And hydrogen depletion analysis is conducted by changing the plate arrangement as a trial of the performance enhancement of a PAR. In this study, a numerical code for an analysis of a PAR performance in a micro scale has been developed by using OpenFOAM libraries. The physical and numerical models were validated by simulating the REKO-3 experiment. As a try to enhance the performance of the plate-type PAR, it was proposed to apply a staggered two-layer arrangement of the

A new continuous-flow process for catalytic conversion of glycerol to oxygenated fuel additive: Catalyst screening

International Nuclear Information System (INIS)

Nanda, Malaya R.; Yuan, Zhongshun; Qin, Wensheng; Ghaziaskar, Hassan S.; Poirier, Marc-Andre; Xu, Chunbao

2014-01-01

Highlights: • A continuous-flow process for catalytic synthesis of solketal from glycerol. • Six different heterogeneous acid catalysts were studied in the process. • Glycerol conversion and solketal yield of 90% and 88% respectively were achieved. • The process has the potential to be scaled-up for industrial applications. - Abstract: A new continuous-flow reactor was designed for the conversion of glycerol to solketal, an oxygenated fuel additive, through ketalization with acetone. Six heterogeneous catalysts were investigated with respect to their catalytic activity and stability in a flow reactor. The acidity of the catalysts positively influences the catalyst’s activity. Among all the solid acid catalysts tested, the maximum solketal yield from experiments at 40 °C, 600 psi and WHSV of 4 h −1 attained 73% and 88% at the acetone/glycerol molar ratio of 2.0 and 6.0, respectively, with Amberlyst Wet. Based on the solketal yield and glycerol conversion results, the activity of all catalysts tested follows the following order of sequence: Amberlyst Wet ≈ Zeolite ≈ Amberlyst Dry > Zirconium Sulfate > Montmorillonite > Polymax. An increase in acetone/glycerol molar ratio or a decrease in WHSV enhanced the glycerol conversion as expected. This process offers an attractive route for converting glycerol, the main by-product of biodiesel, to solketal – a value-added green product with potential industrial applications as a valuable fuel additive or combustion promoter for gasoline engines

A New Energy-Saving Catalytic System: Carbon Dioxide Activation by a Metal/Carbon Catalyst.

Science.gov (United States)

Yun, Danim; Park, Dae Sung; Lee, Kyung Rok; Yun, Yang Sik; Kim, Tae Yong; Park, Hongseok; Lee, Hyunjoo; Yi, Jongheop

2017-09-22

The conversion of CO 2 into useful chemicals is an attractive method to reduce greenhouse gas emissions and to produce sustainable chemicals. However, the thermodynamic stability of CO 2 means that a lot of energy is required for its conversion into chemicals. Here, we suggest a new catalytic system with an alternative heating system that allows minimal energy consumption during CO 2 conversion. In this system, electrical energy is transferred as heat energy to the carbon-supported metal catalyst. Fast ramping rates allow high operating temperatures (T app =250 °C) to be reached within 5 min, which leads to an 80-fold decrease of energy consumption in methane reforming using CO 2 (DRM). In addition, the consumed energy normalized by time during the DRM reaction in this current-assisted catalysis is sixfold lower (11.0 kJ min -1 ) than that in conventional heating systems (68.4 kJ min -1 ). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of a chronocoulometric method for uranium traces determination with basis on nitrate catalytic reduction

International Nuclear Information System (INIS)

Cantagallo, M.I.C.; Gutz, I.G.R.

1990-01-01

The application of chronocoulometric technique with catalytic reduction of uranium/nitrate with catalytic reduction of uranium/nitrate system is described to give a detection limits on the sub-nanomolar region of uranium. (author)

Assessment of research needs for advanced heterogeneous catalysts for energy applications. Final report: Volume 2, Topic reports