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Sample records for surface catalytic properties

  1. SURFACE PROPERTIES AND CATALYTIC PERFORMANCE OF Pt ...

    African Journals Online (AJOL)

    Perovskite-type La2 –xSrxCoO4 mixed oxides have been prepared by calcination at various temperatures of precipitates obtained from aqueous solutions in the presence of citric or ethylenediamintetraacetic (EDTA) acids, and have been studied by X-ray diffraction (XRD), surface area (BET) measurements, temperature ...

  2. Laboratory Determination of Thermal Protection System Materials Surface Catalytic Properties

    Science.gov (United States)

    2007-07-01

    Zalar, A., "Recombination of Neutral Hydrogen Atoms on AISI 304 Stainless Steel Surface," Applied Surface Science, Vol. 144-145, 1999, pp. 399-403. 57...and test environments. Typically, these fits contain only the temperature dependence of the loss probability, with no information on pressure or...generated in the MESOX test facility in the PROMES-CNRS laboratory on a variety of ceramic materials.47-50 The MESOX facility uses a flow tube

  3. Conformity of macroscopic behavior to local properties in the catalytic ammonia synthesis and oscillatory reactions on metal surfaces

    OpenAIRE

    Cholach, A. R.

    2016-01-01

    Unique catalytic potential of metal surfaces has encouraged a great number of basic and applied studies. The manuscript highlights the general regularities in a field on the grounds of strong interrelation between catalytic, kinetic and thermodynamic behaviour of the reaction system. The trials of the catalytic NH3 synthesis and the oscillatory NO+H2 reaction have revealed that the thermodynamics of the local structure determines the properties and multiplicity of the reaction intermediates e...

  4. Relationship between surface property and catalytic application of amorphous NiP/Hβ catalyst for n-hexane isomerization

    Science.gov (United States)

    Chen, Jinshe; Duan, Zunbin; Song, Zhaoyang; Zhu, Lijun; Zhou, Yulu; Xiang, Yuzhi; Xia, Daohong

    2017-12-01

    The amorphous NiP nanoparticles were synthesized and a novel amorphous NiP/Hβ catalyst was prepared successfully further. Due to the superior surface property of amorphous NiP/Hβ catalyst, it exhibited good catalytic application for n-hexane isomerization. The catalytic activity of amorphous NiP/Hβ catalyst was close to that of the prepared Pt/Hβ sample, and better than that of commercial catalyst and crystalline Ni2P/Hβ catalyst. What's more, the amorphous NiP/Hβ catalyst shows high resistance to different sulfur compounds and water on account of its unique surface property. The effect of loading amounts on surface property and catalytic performance was investigated, and the structure-function relationship among them was studied ulteriorly. The results demonstrate that loading amounts have effect on textural property and surface acid property, which further affect the catalytic performance. The 10 wt.% NiP/Hβ sample has appropriate pore structure and acid property with uniformly dispersed NiP nanoparticles on surface, which is helpful for providing suitable synergistic effect. The effects of reaction conditions on surface reactions and the mechanism for n-hexane isomerization were investigated further. Based on these results, the amorphous NiP/Hβ catalyst with superior surface property probably pavesa way to overcome the drawbacks of traditional noble metal catalyst, which shows good catalytic application prospects.

  5. Modifying surface properties of KIT-6 zeolite with Ni and V for enhancing catalytic CO methanation

    Science.gov (United States)

    Cao, Hong-Xia; Zhang, Jun; Guo, Cheng-Long; Chen, Jingguang G.; Ren, Xiang-Kun

    2017-12-01

    The surface of the KIT-6 zeolite was modified with different amounts of Ni and V to promote the catalytic properties for CO methanation. A series of xNi-yV/KIT-6 with various Ni and V contents were prepared by the incipient-wetness impregnation method. The modified surfaces were characterized using N2 adsorption-desorption, Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD), hydrogen temperature-programmed reduction (H2-TPR), Fourier transformed infrared spectroscopy (FT-IR), Raman, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), and energy-dispersive X-ray spectroscopy (EDX), respectively. The characterization results illustrated that the modification of V species was able to significantly promote low-temperature catalytic performance below 350 °C compared to that of unmodified Ni/KIT-6, which was likely due to an increase in the H2 uptake accompanied by enhanced CO dissociation derived from stronger electron transfer from V species to Ni0. Correspondingly, the xNi-yV/KIT-6 catalysts exhibited a distinct enhancement in CO conversion, CH4 selectivity and CH4 yield over unmodified Ni/KIT-6. Among all catalysts, 20Ni-2V/KIT-6 showed the best catalytic performance, corresponding to nearly 100% CO conversion and 85% CH4 yield at a low temperature of 300 °C. Furthermore, 20Ni-2V/KIT-6 presented enhanced coking-resistant and anti-sintering properties during a 60h-lifetime test at 500 °C and 1 atm with a high weight hourly space velocity (WHSV) of 60000 ml/g/h.

  6. Precursor type affecting surface properties and catalytic activity of sulfated zirconia

    Directory of Open Access Journals (Sweden)

    Zarubica Aleksandra R.

    2007-01-01

    Full Text Available Zirconium-hydroxide precursor samples are synthesized from Zr-hydroxide, Zr-nitrate, and Zr-alkoxide, by precipitation/impregnation, as well as by a modified sol-gel method. Precursor samples are further sulphated for the intended SO4 2- content of 4 wt.%, and calcined at 500-700oC. Differences in precursors’ origin and calcination temperature induce the incorporation of SO4 2- groups into ZrO2 matrices by various mechanisms. As a result, different amounts of residual sulphates are coupled with other structural, as well as surface properties, resulting in various catalytic activities of sulphated zirconia samples. Catalyst activity and selectivity are a complex synergistic function of tetragonal phase fraction, sulphates contents, textural and surface characteristics. Superior activity of SZ of alkoxide origin can be explained by a beneficial effect of meso-pores owing to a better accommodation of coke deposits.

  7. Polymeric heterogeneous catalysts of transition-metal oxides: surface characterization, physicomechanical properties, and catalytic activity.

    Science.gov (United States)

    Nhi, Bui Dinh; Akhmadullin, Renat Maratovich; Akhmadullina, Alfiya Garipovna; Samuilov, Yakov Dmitrievich; Aghajanian, Svetlana Ivanova

    2013-12-16

    We investigate the physicomechanical properties of polymeric heterogeneous catalysts of transition-metal oxides, specifically, the specific surface area, elongation at break, breaking strength, specific electrical resistance, and volume resistivity. Digital microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction, scanning electron microscopy, and energy-dispersive analysis are used to study the surfaces of the catalysts. The experimental results show that polymeric heterogeneous catalysts of transition-metal oxides exhibit high stability and can maintain their catalytic activity under extreme reaction conditions for long-term use. The oxidation mechanism of sulfur-containing compounds in the presence of polymeric heterogeneous catalysts of transition-metal oxides is confirmed. Microstructural characterization of the catalysts is performed by using X-ray computed tomography. The activity of various catalysts in the oxidation of sulfur-containing compounds is determined. We demonstrate the potential application of polymeric heterogeneous catalysts of transition-metal oxides in industrial wastewater treatment. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Effect of Ag-doping of nanosized FeAlO system on its structural, surface and catalytic properties

    Directory of Open Access Journals (Sweden)

    Laila I. Ali

    2016-11-01

    Full Text Available The effects of Ag2O-doping on the physicochemical, surface and catalytic properties of FeAlO system with various extents of Fe2O3 loading have been investigated. The dopant concentration was changed between 1.5 and 4.0 mol % Ag2O. Pure and variously doped solids were subjected to heat treatment at 400–800 °C. The techniques employed for characterization of catalysts were TG/DTG, XRD, N2-adsorption at −196 °C and the catalytic decomposition of H2O2 at 25–40 °C. The results obtained revealed that, the investigated catalysts consisted of nanosized γ-Al2O3 phase. The textural properties including SBET, porosity and St were modified by Ag2O-doping. The doping process with Ag-species improves the catalytic activity of FeAlO system. Increasing the precalcination temperature from 400 to 800 °C increases the catalytic activity of 3.5% AgFeAlO with 1.9-fold toward H2O2 decomposition at 30 °C. Furthermore, the maximum increase in the catalytic activity due to doping with 3.5 mol % Ag2O at 30 °C attained about 15.1-fold for the solids calcined at 800 °C.

  9. 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)

  10. 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)

  11. Catalytic and surface properties of nanocrystalline gold water gas shift catalysts

    Science.gov (United States)

    Kim, Chang Hwan

    A series of CeO2 supported gold catalysts were prepared and found to possess a high activities for the water gas shift reaction (WGS), a critical step in the production of H2 for use in petroleum refining, chemicals synthesis, and proton exchange membrane fuel cells. The deposition-precipitation method was employed in synthesizing these highly active, nanocrystalline gold catalysts. X-ray photoelectron spectroscopy (XPS), infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), and dynamic sorption analyses were performed to characterize the gold catalysts. While some of these catalysts were initially four times more active than a commercial Cu-based catalyst, they were susceptible to deactivation. Characterization using techniques including temperature programmed oxidation, XPS, and FT-IR indicated that the deactivation was caused primarily by blockage of the active sites by carbonates and/or formates. Formation of these carbonaceous species appeared to be facilitated by oxygen deficient sites on the ceria surface and may have been associated with hydroxyl groups formed on the nanocrystalline gold particles under the H2 rich conditions. The deactivation could be managed by conditioning the CeO2 surface or adding constituents to minimize oxygen deficiency. The catalytic activity was fully recovered by calcining the deactivated materials in flowing air at elevated temperatures. The gold catalyst was washcoated onto microporous Fe-Al alloy foams for use in a micro-channel WGS reactor. The performance of these coated foams was inferior to that of the powder catalyst; however, a two stage micro-channel WGS reactor employing the gold catalyst was sufficient for a 100 W fuel processor system.

  12. Solubilizing properties of new surface-active agents, products of catalytic oxyethylation of cholic acid.

    Science.gov (United States)

    Kołodziejczyk, Michał Krzysztof; Nachajski, Michal Jakub; Lukosek, Marek; Zgoda, Marian Mikołaj

    2013-01-01

    Solubilizing properties of aqueous solutions of a series of surface-active agents, products of oxyethylation of cholic acid, were examined in the present study. The content of oxyethylated segments determined by means of the 1H NMR method enabled the verification of the molecular mass of surfactants along with the calculation of the structural hydrophilic-lipophilic balance (HLB), the solubility parameter delta1/2, and the required solubility level of balance HLB(R). Viscosimetric measurements enabled the calculation of the limiting viscosity number, the content-average molecular mass, the effective volume, the hydrodynamic radius of the surfactant micelle and their equilibrium adducts with rutin, diclofenac and loratadine (BCS Class II and III). By means of the spectrophotometric method (UV) the amount of the solubilized diclofenac, loratadine and rutin (rutoside) was determined in the equilibrium system (saturated solution) in the environment of aqueous solutions of cholic acid derivatives of n(TE) = 20-70. The obtained results serve as a basis for determining the solubilization mechanism of lipophilic therapeutic products and indirectly for estimating the influence of the above process on pharmaceutical as well as biological availability of a micellar adduct from model drug forms (Lindbladt lithogenolitic index).

  13. Revealing the Role of Interfacial Properties on Catalytic Behaviors by in Situ Surface-Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Zhang, Hua; Zhang, Xia-Guang; Wei, Jie; Wang, Chen; Chen, Shu; Sun, Han-Lei; Wang, Ya-Hao; Chen, Bing-Hui; Yang, Zhi-Lin; Wu, De-Yin; Li, Jian-Feng; Tian, Zhong-Qun

    2017-08-02

    Insightful understanding of how interfacial structures and properties affect catalytic processes is one of the most challenging issues in heterogeneous catalysis. Here, the essential roles of Pt-Au and Pt-oxide-Au interfaces on the activation of H 2 and the hydrogenation of para-nitrothiophenol (pNTP) were studied at molecular level by in situ surface-enhanced Raman spectroscopy (SERS) and shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). Pt-Au and Pt-oxide-Au interfaces were fabricated through the synthesis of Pt-on-Au and Pt-on-SHINs nanocomposites. Direct spectroscopic evidence demonstrates that the atomic hydrogen species generated on the Pt nanocatalysts can spill over from Pt to Au via the Pt-Au and Pt-TiO 2 -Au interfaces, but would be blocked at the Pt-SiO 2 -Au interfaces, leading to the different reaction pathways and product selectivity on Pt-on-Au and Pt-on-SHINs nanocomposites. Such findings have also been verified by the density functional theory calculation. In addition, it is found that nanocatalysts assembled on pinhole-free shell-isolated nanoparticles (Pt-on-pinhole-free-SHINs) can override the influence of the Au core on the reaction and can be applied as promising platforms for the in situ study of heterogeneous catalysis. This work offers a concrete example of how SERS/SHINERS elucidate details about in situ reaction and helps to dig out the fundamental role of interfaces in catalysis.

  14. Solid state synthesis, characterization, surface and catalytic properties of Pr2CoO4 and Pr2NiO4 catalyst

    International Nuclear Information System (INIS)

    Sinha, K.K.; Indu, N.K.; Sinha, S.K.; Pankaj, A.K.

    2008-01-01

    Full text: The most interesting non-stoichiometric oxides are found in transition metal and rare earth oxides at higher temperatures. The role of Solid State properties in the catalysis using mixed metal oxide as catalyst have wide applications in fertilizer, Petro-chemical, Pharmaceutical, cosmetic, paint detergents, plastics and food-stuff industries and these are also resistive towards acids and alkalies. The use of catalyst has opened up new process routes or revolutioned the existing process in terms of economics and efficiency and has radically changed the industrial scenario. The use of catalyst is so pervasive today that nearly 70 % of modern chemical processes are based on it at some stage or other and 90% new processes developed are catalytic nature. A series of non-stoichiometric spinel type of oxide catalyst of Praseodymium with cobalt and nickel were synthesized by their oxalates through Solid State reaction technique at different activation temperatures i.e. 600, 700, 800 and 900 deg C. The characterization of catalyst was done by XRD, FTIR and ESR methods. X-ray powder diffraction study shows that catalysts are made up of well grown crystallinities mostly in single phase crystal and system is of orthorhombic structure. FTIR is related to inadequate decomposition of oxalate ion from the Catalyst. The kinetic decomposition of Urea was employed as a model reaction to study the catalytic potentiality of different catalysts. Surface and Catalytic Properties of catalysts were measured. A relation between activation temperature and surface properties like excess surface oxygen (E.S.O.), surface acidity and surface area was observed. A linear relationship between the surface area of the catalyst and the amount of ammonia gas evolved per gm of the sample was observed also. Nickel containing catalysts were found a bit more catalytic active in comparison to cobalt oxide catalysts. Transition metal ions (i.e. Ni 2+ and Co 2+ ions) are mainly responsible for

  15. Catalytically favorable surface patterns in Pt-Au nanoclusters

    KAUST Repository

    Mokkath, Junais Habeeb

    2013-01-01

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

  16. Structural, electrical and catalytic properties of ion-implanted oxides

    NARCIS (Netherlands)

    van Hassel, B.A.; Burggraaf, A.J.

    1989-01-01

    The potential application of ion implantation to modify the surfaces of ceramic materials is discussed. Changes in the chemical composition and microstructure result in important variations of the electrical and catalytic properties of oxides.

  17. Nitrides and carbides of molybdenum and tungsten with high specific-surface area: their synthesis, structure, and catalytic properties

    International Nuclear Information System (INIS)

    Volpe, L.

    1985-01-01

    Temperature-programmed reactions between trioxides of molybdenum or tungsten and ammonia provide a new method to synthesize dimolybdenum and ditungsten nitrides with specific surface areas to two-hundred-and-twenty and ninety-one square meters per gram, respectively. These are the highest values on record for any unsupported metallic powders. They correspond to three-four nonometer particles. The reaction of molybdenum trioxide with ammonia is topotactic in the sense that one-zero-zero planes of dimolybdenum nitride are parallel to zero-one-zero planes of molybdenum trioxide. As the trioxide transforms, it passes through an oxynitride intermediate with changing bulk structure and increasing surface area and extent of reduction. The nitride product consists of platelets, pseudomorphous with the original trioxide, which can be regarded as highly porous defect single crystals. By treating small particles of dimolybdenum or ditungsten nitride with methane-dihydrogen mixtures it is possible to replace interstitial nitrogen atoms by carbon atoms, without sintering, and thus to prepare carbides of molybdenum and tungsten with very high specific surface areas. Molybdenum nitride powders catalyze ammonia synthesis. A pronounced increase in the catalytic activity with increasing particle size confirms the structure-sensitive character of this reaction

  18. Modulation of surface structure and catalytic properties of cerium oxide nanoparticles by thermal and microwave synthesis techniques

    Energy Technology Data Exchange (ETDEWEB)

    He, Jian [College of Pharmacy, Third Military Medical University, Chongqing 400038 (China); Zhou, Lan; Liu, Jie; Yang, Lu; Zou, Ling; Xiang, Junyu; Dong, Shiwu [School of Biomedical Engineering, Third Military Medical University, Chongqing 400038 (China); Yang, Xiaochao, E-mail: xcyang@tmmu.edu.cn [School of Biomedical Engineering, Third Military Medical University, Chongqing 400038 (China)

    2017-04-30

    Highlights: • The CNPs synthesized by microwave irradiation have more reactive hot spots than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation exhibited higher SOD activity than that synthesized by convective heating. • The CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress. - Abstract: Cerium oxide nanoparticles (CNPs) have been intensively explored for biomedical applications in recent few years due to the versatile enzyme mimetic activities of the nanoparticles. However, the control of CNPs quality through the optimization of synthesis conditions remains largely unexplored as most of the previous studies only focus on utilizing the catalytic activities of the nanoparticles. In the present study, CNPs with size about 5 nm were synthesized by thermal decomposition method using traditional convective heating and recently developed microwave irradiation as heating source. The quality of CNPs synthesized by the two heating manner was evaluated. The CNPs synthesized by convective heating were slightly smaller than that synthesized by microwave irradiation heating. The cores of the CNPs synthesized by the two heating manner have similar crystal structure. While the surface subtle structures of the CNPs synthesized by two heating manner were different. The CNPs synthesized by microwave irradiation have more surface reactive hot spot than that synthesized by convective heating as the nanoparticles responded more actively to the redox environment variation. This difference resulted in the higher superoxide dismutase (SOD) mimetic activity of CNPs synthesized by microwave irradiation heating than that of the convective heating. Preliminary experiments indicated that the CNPs synthesized by microwave irradiation heating could better protect cells from oxidative stress due to the higher SOD mimetic activity of the nanoparticles.

  19. Catalytic properties of niobium compounds

    International Nuclear Information System (INIS)

    Tanabe, K.; Iizuka, T.

    1983-04-01

    The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author) [pt

  20. Surface chemistry and catalytic properties of VO{sub X}/Ti-MCM-41 catalysts for dibenzothiophene oxidation in a biphasic system

    Energy Technology Data Exchange (ETDEWEB)

    González, J. [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Chen, L.F., E-mail: lchen@ipn.mx [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Wang, J.A.; Manríquez, Ma.; Limas, R. [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Schachat, P.; Navarrete, J. [Dirección de Investigación, Instituto Mexicano del Petróleo, Eje Lázaro Cárdenas 152, 07730 México D.F. (Mexico); Contreras, J.L. [Laboratorio de Catálisis y Polímeros, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-A, Av. San Pablo No. 180, 02200 México D.F. (Mexico)

    2016-08-30

    Highlights: • Oxidative desulfurization of model diesel was tested in a biphasic system. • ODS activity was proportional to the V{sup 5+}/(V{sup 4+} + V{sup 5+}) values of the catalysts. • Lewis acidity was related to vanadium content and catalytic activity. • 99.9% DBT was oxidized using 25%V{sub 2}O{sub 5}/Ti-MCM-41 at 60 °C within 60 min. - Abstract: A series of vanadium oxide supported on Ti-MCM-41 catalysts was synthesized via the incipient impregnation method by varying the vanadia loading from 5 wt% to 10, 15, 20 and 25 wt%. These catalysts were characterized by a variety of advanced techniques for investigating their crystalline structure, textural properties, and surface chemistry information including surface acidity, reducibility, vanadium oxidation states, and morphological features. The catalytic activities of the catalysts were evaluated in a biphasic reaction system for oxidative desulfurization (ODS) of a model diesel containing 300 ppm of dibenzothiophene (DBT) where acetonitrile was used as extraction solvent and H{sub 2}O{sub 2} as oxidant. ODS activity was found to be proportional to the V{sup 5+}/(V{sup 4+} + V{sup 5+}) values of the catalysts, indicating that the surface vanadium pentoxide (V{sub 2}O{sub 5}) was the active phase. Reaction temperature would influence significantly the ODS efficiency; high temperature, i.e., 80 °C, would lead to low ODS reaction due to the partial decomposition of oxidant. All the catalysts contained both Lewis and Brønsted acid sites but the former was predominant. The catalysts with low vanadia loading (5 or 10 wt%V{sub 2}O{sub 5}) had many Lewis acid sites and could strongly adsorb DBT molecule via the electron donation/acceptance action which resulted in an inhibition for the reaction of DBT with the surface peroxometallic species. The catalyst with high vanadia loading (25wt%V{sub 2}O{sub 5}/Ti-MCM-41) showed the highest catalytic activity and could remove 99.9% of DBT at 60 °C within 60 min.

  1. Carbon Domains on MoS2/TiO2 System via Catalytic Acetylene Oligomerization: Synthesis, Structure, and Surface Properties

    Directory of Open Access Journals (Sweden)

    Sara Cravanzola

    2017-11-01

    Full Text Available Carbon domains have been obtained at the surface of a MoS2/TiO2 (Evonik, P25 system via oligomerization and cyclotrimerization reactions involved in the interaction of the photoactive material with acetylene. Firstly, MoS2 nanosheets have been synthesized at the surface of TiO2, via sulfidation of a molybdenum oxide precursor with H2S (bottom-up method. Secondly, the morphology and the structure, the optical and the vibrational properties of the obtained materials, for each step of the synthesis procedure, have been investigated by microscopy and spectroscopy methods. In particular, transmission electron microscopy images provide a simple tool to highlight the effectiveness of the sulfidation process, thus showing 1L, 2L, and stacked MoS2 nanosheets anchored to the surface of TiO2 nanoparticles. Lastly, in-situ FTIR spectroscopy investigation gives insights into the nature of the oligomerized species, showing that the formation of both polyenic and aromatic systems can be taken into account, being their formation promoted by both Ti and Mo catalytic sites. This finding gives an opportunity for the assembly of extended polyenic, polyaromatic, or mixed domains firmly attached at the surface of photoactive materials. The presented approach, somehow different from the carbon adding or doping processes of TiO2, is of potential interest for the advanced green chemistry and energy conversion/transport applications.

  2. The surface behaviour and catalytic properties of Nd2-XSrXCoO4±Λ mixed oxides

    Directory of Open Access Journals (Sweden)

    Laitao Luo

    2006-12-01

    Full Text Available The mixed oxides, Nd2-xSrxCoO4±λ (0.4 ≤ x ≤ 1.2, ( = non-stochiometric oxygen with the K2NiF4 structure were prepared by the polyglycol gel method and used as catalysts for NO reduction. The samples were investigated by IR, TPD, TPR, and XRD methods and iodometry and the effects of the coefficient x on the structure and catalytic activity of the samples were studied. The results show that the Nd2-xSrxCoO4±λ mixed oxides have the K2NiF4 structure; other phases are found when x 1.2. The amount of Co3+ and the lattice oxygen in Nd2-xSrxCoO4±λ increase with increasing x. The catalytic activity of Nd2-xSrxCoO4±λfor NO reduction is closely correlated with the concentration of oxygen vacancies and the amount of Co3+.

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

    CERN Document Server

    Busca, Guido

    2014-01-01

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

  4. Active Component Migration and Catalytic Properties of Nitrogen Modified Composite Catalytic Materials

    Directory of Open Access Journals (Sweden)

    Miaomiao Li

    2018-03-01

    Full Text Available During the catalytic combustion reaction of methane, the migration of the active species on surface facilitates the catalytic reaction, and the element doping can improve the redox performance of the catalyst. Nitrogen-modified perovskite type composite catalysts were prepared by hydrothermal method and then characterized by X-ray diffractometer (XRD, scanning electron microscopy (SEM, Brunauer-Emmett-Teller (BET, temperature-programmed reductions (TPR, and X-ray photoelectron spectra (XPS. The results revealed that nitrogen sources (urea, biuret, melamine, carbohydrazide, and semicarbazide hydrochloride and nitrogen source addition changed the catalytic performance in physical and chemical properties, the migration of reactive species and the catalytic performance. When the addition amount of semicarbazide hydrochloride was three times that of LaCoO3, the composite catalysts had high Co3+/Co2+ (1.39 and Oads/Olat (15.18 and showed the best catalytic performance: the temperatures that are required for achieving methane conversion of 50% and 90% were 277 and 360 °C, which are more effective than noble metal oxides. Moreover, the in situ diffuse reflectance infrared fourier transform spectroscopy (DRIFTS were applied to elucidate the efficient for CH4 removal and also can further explain the surface reaction mechanism of the composite catalyst during the methane catalytic combustion.

  5. Surface Modification of Catalytic Materials

    DEFF Research Database (Denmark)

    Nierhoff, Anders Ulrik Fregerslev

    aggregation techniques. With the use of two different filter mechanisms, the Quadrupole and the Lateral Time Of Flight, the nanoparticles were mass selected. This was done to correlate nanoparticle size with reactivity. Selected key findings can be summarized as: 1) CO induced surface changes of Pt based...... methanol synthesis. The importance of conducting well controlled UHV experiments and characterization in combination with experiments at higher pressures to span the pressure gap between UHV and operando conditions is definitely highlighted in this thesis....

  6. Surface properties and catalytic performance of Pt/LaSrCoO4 catalysts in the oxidation of hexane

    Directory of Open Access Journals (Sweden)

    Hua Zhong

    2007-08-01

    Full Text Available Perovskite-type La2 –xSrxCoO4 mixed oxides have been prepared by calcination at various temperatures of precipitates obtained from aqueous solutions in the presence of citric or ethylenediamintetraacetic (EDTA acids, and have been studied by X-ray diffraction (XRD, surface area (BET measurements, temperature programmed desorption (TPD, temperature programmed reduction (TPR and X-ray photoelectron spectroscopy (XPS. These oxides are catalysts for hexane oxidation, with the greatest activity for LaSrCoO4 calcined at 750 C. This has extensive oxygen vacancies and large internal surface area. Pt-modified LaSrCoO4 catalysts are significantly more active than the Pt-free system. Both surface and bulk phases of the preovskitetype oxides contribute to hexane oxidation.

  7. A surface immobilization method of endoglucanase from Cellulomonas biazotea mutant improved catalytic properties of biocatalyst during processing.

    Science.gov (United States)

    Rajoka, Muhammad Ibrahim; Zia, Yasmin

    2007-01-01

    Purified endoglucanase from C. biazotea mutant 51SM(r) was successfully immobilized on Eudragit L-100, with 75 % yield of immobilization. This method improved the kinetic and thermodynamic properties of the enzyme. Immobilization significantly decreased entropy and enthalpy of inactivation of biocatalyst and made it functionally and thermodynamically more stable and reusable compared to free one.

  8. Synthesis and catalytic properties of ferrocenophane phosphines

    OpenAIRE

    Škoch, Karel

    2014-01-01

    6 Title: Sythesis and catalytic properties of ferrocenophane phosphines Author: Karel Škoch Institution: Faculty of Science, Charles University in Prague, Department of Inorganic Chemistry Supervisor: prof. RNDr. Petr Štěpnička, Ph.D. Keywords: ferrocene, ferrocenophane, phosphine ligands, palladium, asymetric catalysis, aza- Morita-Baylis-Hillman reaction, asymetric allylic alkylation Abstract: This Thesis describes the preparation of five sterically and electronically different ferrocene ph...

  9. 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.

  10. Surface composition of carburized tungsten trioxide and its catalytic activity

    International Nuclear Information System (INIS)

    Nakazawa, M.; Okamoto, H.

    1985-01-01

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

  11. Supported organoactinides. Surface chemistry and catalytic properties of alumina-bound (Cyclopentadienyl)- and (Pentamethylcyclopentadienyl)thorium and -uranium hydrocarbyls and hydrides

    International Nuclear Information System (INIS)

    He, M.Y.; Xiong, G.; Toscano, P.J.; Burwell, R.L. Jr.; Marks, T.J.

    1985-01-01

    Results of a detailed, quantitative investigation are reported of surface chemistry and catalysis involving selected organoactinides and partially dehydroxylated (PDA) or dehydroxylated (DA) alumina supports. For the complexes Cp' 2 M(CH 3 ) 2 and Cp' 2 M(CD 3 ) 2 (Cp' = eta 5 - (CH 3 ) 5 ; M = Th, U), methane-evolving surface reaction pathways are identified as M-CH 3 protonolysis via surface OH (especially on PDA), Cp' H atom abstraction, and intramolecular elimination of methane within M(CH 3 ) 2 units. This latter process is proposed on the basis of methylene transfer to acetone and some olefin metathesis activity to result in Al 3+ -stabilized alkylidenes. Hydogenolysis studies indicate that ca. 25% of the Cp' 2 M(CH 3 ) 2 /DA surface M-CH 3 groups are removable as methane; reduction of methyl chloride to methane confirms the presence of surface M-H groups produced by hydrogenolysis. The Cp' 2 M(CH 3 ) 2 /DA complexes are active catalysts for propylene hydrogenation following a variety of pretreatment conditions, with N/sub t/ approx. = 0.5 s -1 in a flow reactor at -63 0 C (about 10 times more active than typical Pt/SiO 2 catalysts under the same conditions). M = Th and U are comparable in hydrogenation activity, and CO poisoning experiments indicate that ca. 3% of the adsorbed molecules are catalytically active. Cp' 2 M(CH 3 ) 2 complexes on PDA and silica gel are considerably less active catalysts. The Cp' 2 M(CH 3 ) 2 /DA systems are also active catalysts for ethylene polymerization and weakly active for butene isomerization. Experiments with Cp' 2 Th[CH 2 C(CH 3 ) 3 ] 2 and [Cp' 2 Th(μ-H)H] 2 on DA reveal activity for propylene hydrogenation comparable to the Cp' 2 M(CH 3 ) 2 systems. In contrast, more coordinatively saturated Cp 3 UCH 3 and Cp 3 Th(n-C 4 H 9 ) (Cp = eta 5 -C 5 H 5 ) are far less active, while Cp'Th(CH 2 C 6 H 5 ) 3 is far more active (N/sub t/ approx. = 10 s -1 )

  12. Imaging Catalytic Surfaces by Multiplexed Capillary Electrophoresis With Absorption Detection

    Energy Technology Data Exchange (ETDEWEB)

    Christodoulou, Michael [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    A new technique for in situ imaging and screening heterogeneous catalysts by using multiplexed capillary electrophoresis with absorption detection was developed. By bundling the inlets of a large number of capillaries, an imaging probe can be created that can be used to sample products formed directly from a catalytic surface with high spatial resolution. In this work, they used surfaces made of platinum, iron or gold wires as model catalytic surfaces for imaging. Various shapes were recorded including squares and triangles. Model catalytic surfaces consisting of both iron and platinum wires in the shape of a cross were also imaged successfully. Each of the two wires produced a different electrochemical product that was separated by capillary electrophoresis. Based on the collected data they were able to distinguish the products from each wire in the reconstructed image.

  13. Catalytic properties and biomedical applications of cerium oxide nanoparticles

    KAUST Repository

    Walkey, Carl D.

    2014-11-10

    Cerium oxide nanoparticles (nanoceria) have shown promise as catalytic antioxidants in the test tube, cell culture models and animal models of disease. However given the reactivity that is well established at the surface of these nanoparticles, the biological utilization of nanoceria as a therapeutic still poses many challenges. Moreover the form that these particles take in a biological environment, such as the changes that can occur due to a protein corona, are not well established. This review aims to summarize the existing literature on biological use of nanoceria, and to raise questions about what further study is needed to apply this interesting catalytic material to biomedical applications. These questions include: 1) How does preparation, exposure dose, route and experimental model influence the reported effects of nanoceria in animal studies? 2) What are the considerations to develop nanoceria as a therapeutic agent in regards to these parameters? 3) What biological targets of reactive oxygen species (ROS) and reactive nitrogen species (RNS) are relevant to this targeting, and how do these properties also influence the safety of these nanomaterials?

  14. Vapor-phase photo-oxidation of methanol over nano-size titanium dioxide clusters dispersed in MCM-41 host material part 2: catalytic properties and surface transient species.

    Science.gov (United States)

    Bhattacharyya, K; Varma, S; Kumar, D; Tripathi, A K; Gupta, N M

    2005-05-01

    independently in the formation of methoxyl groups and at the same time promote the heterogeneous photo-catalytic oxidation of methanol molecules via formation of transient formate groups. Our results also show that the effect of titania crystallite size in the photo-catalytic properties relate mainly to the larger surface area and hence to the enhanced number of chemisorption sites, rather than to the changes in electronic properties.

  15. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    International Nuclear Information System (INIS)

    Gallegos-Suarez, E.; Pérez-Cadenas, M.; Guerrero-Ruiz, A.; Rodriguez-Ramos, I.; Arcoya, A.

    2013-01-01

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC < Ru(n)/AC < Ru(Cl)/AC-Ox ≈ Ru(n)/AC-Ox, reasonably parallels the population increase of surface acid groups. Participation of the -COOH groups in the transformation of glycerol into 1,2-propanediol is verified by using the admixture Ru(Cl)/AC+AC-Ox as catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  16. Effect of the functional groups of carbon on the surface and catalytic properties of Ru/C catalysts for hydrogenolysis of glycerol

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos-Suarez, E. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Pérez-Cadenas, M. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Guerrero-Ruiz, A. [Instituto de Catálisis y Petroleoquímica, CSIC, Marie Curie n° 2, L-10, 28049 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Rodriguez-Ramos, I. [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain); Arcoya, A., E-mail: aarcoya@icp.csic.es [Departamento de Química Inorgánica y Técnica, Facultad de Ciencias, UNED, Paseo Senda del Rey n° 9, 28040 Madrid (Spain); Unidad Asociada UNED ICP-CSIC, Group Design and Applied Heterogeneous Catalysis (Spain)

    2013-12-15

    Ruthenium catalysts supported on activated carbons, original (AC) and treated with nitric acid (AC-Ox) were prepared by incipient wetness impregnation from either chloride (Cl) or nitroxyl nitrate (n) precursors. These catalysts were characterized by TG, XPS, TEM, TPD-MS and CO adsorption microcalorimetry and evaluated in the hydrogenolysis of glycerol in the liquid phase, at 453 K and 8 MPa. Studies by TEM show that ruthenium particles supported on AC-Ox are larger than on AC, without any effect of the nature of the metal precursor. However, adsorption of CO on the ex-chloride catalysts is inhibited in comparison with that of the ex-nitroxyl nitrate catalysts. Catalysts characterization by TG, TPD-MS and XPS reveals that the nitric acid treatment and the nitroxyl nitrate precursor generate oxygenated groups on the carbon surface, which provide acid properties to the catalysts, although they are partly destroyed during the reduction treatment applied to the catalysts. The sequence of the overall TOF, Ru(Cl)/AC < Ru(n)/AC < Ru(Cl)/AC-Ox ≈ Ru(n)/AC-Ox, reasonably parallels the population increase of surface acid groups. Participation of the -COOH groups in the transformation of glycerol into 1,2-propanediol is verified by using the admixture Ru(Cl)/AC+AC-Ox as catalyst. In this case, since AC-Ox was not thermally treated and no loss of oxygenated groups occurred, TOF and selectivity toward 1,2-propanediol improve in comparison with those of the more active catalysts.

  17. Correlation between the size and the magnetic properties of Ag2+ clusters loaded on ceria surface and their catalytic performance in the total oxidation of propylene. EPR study

    Science.gov (United States)

    Hany, Sara; Skaf, Mira; Aouad, Samer; Gennequin, Cédric; Labaki, Madona; Abi-Aad, Edmond; Aboukaïs, Antoine

    2018-03-01

    Three different types of Ag2+ ions ("a", "b", and "c") have been identified and examined by electron paramagnetic resonance (EPR) on 10% wt Ag/CeO2 prepared by impregnation method. One of them, Ag2+(b), behaves differently than the two others, Ag2+(a) and Ag2+(c), under redox atmospheres. The fact that, in reducing conditions (vacuum, propylene, hydrogen, and carbon black), Ag2+(a) and Ag2+(c) species were more easily reduced than Ag2+(b) ones, could not explain the catalytic performance and stability of this latter species compared to the first ones in the reaction of total oxidation of propylene. The EPR technique evidenced that Ag2+(b) species form, upon propene oxidation, a cluster. This cluster is composed of two parallel electron spins (dimer) and three nuclear spins (trimer). It seems that before propylene oxidation, Ag2+(b) clusters were ferromagnetic. This ferromagnetic character of Ag2+(b) species may explain their better catalytic performance, in propylene oxidation, than those of Ag2+(a) and Ag2+(c) ones.

  18. Catalytic

    Directory of Open Access Journals (Sweden)

    S.A. Hanafi

    2014-03-01

    Full Text Available A series of dealuminated Y-zeolites impregnated by 0.5 wt% Pt catalysts promoted by different amounts of Ni, Pd or Cr (0.3 and 0.6 wt% were prepared and characterized as hydrocracking catalysts. The physicochemical and structural characterization of the solid catalysts were investigated and reported through N2 physisorption, XRD, TGA-DSC, FT-IR and TEM techniques. Solid catalysts surface acidities were investigated through FT-IR spectroscopy aided by pyridine adsorption. The solid catalytic activities were evaluated through hydroconversion of n-hexane and n-heptane employing micro-catalytic pulse technique directly connected to a gas chromatograph analyzer. The thermal stability of the solids was also investigated up to 800 °C. Crystallinity studies using the XRD technique of all modified samples proved analogous to the parent Y-zeolite, exhibiting nearly an amorphous and microcrystalline character of the second metal oxides. Disclosure of bimetallic catalysts crystalline characterization, through XRD, was not viable. The nitrogen adsorption–desorption isotherms for all samples concluded type I adsorption isotherms, without any hysteresis loop, indicating that the entire pore system is composed of micropores. TEM micrographs of the solid catalysts demonstrate well-dispersed Pt, Ni and Cr nanoparticles having sizes of 2–4 nm and 7–8 nm, respectively. The catalytic activity results indicate that the bimetallic (0.5Pt–0.3Cr/D18H–Y catalyst is the most active towards n-hexane and n-heptane isomerization while (0.5Pt–0.6Ni/D18H–Y catalyst can be designed as most suitable as a cracking catalyst.

  19. Surface X-ray studies of catalytic clean technologies.

    Science.gov (United States)

    Lee, Adam F; Prabhakaran, Vinod; Wilson, Karen

    2010-06-14

    The rational design of new heterogeneous catalysts for clean chemical technologies can be accelerated by molecular level insight into surface chemical processes. In situ methodologies, able to provide time-resolved and/or pressure dependent information on the evolution of reacting adsorbed layers over catalytically relevant surfaces, are therefore of especial interest. Here we discuss recent applications of surface X-ray techniques to surface-catalysed oxidations, (de)hydrogenations, C-C coupling, dehalogenation and associated catalyst restructuring, and explore how these may help to shape future sustainable chemistry.

  20. Atomic-scale Modelling of Electro-catalytic Surfaces and Dynamic Electrochemical Interfaces

    DEFF Research Database (Denmark)

    Hansen, Martin Hangaard

    or phases are responsible for the observed catalytic activities. For nickel di-phosphide, which is another recently discovered catalyst for the hydrogen evolution reaction, it was possible to determine several facets and active sites, which have advantageous catalytic properties. Chapter 5 presents the new...... evolution reaction. The results show that molybdenum carbides and borides have reactive surfaces, which is not in consistency with their high catalytic activity. A possible active facet is suggested for the molybdenum boride. It is likely, however, that other unexplored active sites, surface terminations...... with experimental observations show that there is a natural limit to how far the reactivity of the catalysts can can be fine-tuned, exclusively using the strain effect, that is imposed by alloying with lanthanides. In chapter 4, calculations are presented for several newly discovered catalysts for the hydrogen...

  1. Design parameters for measurements of local catalytic activity on surfaces

    DEFF Research Database (Denmark)

    Johansson, Martin; Johannessen, Tue; Jørgensen, Jan Hoffmann

    2006-01-01

    Computational fluid dynamics in combination with experiments is used to characterize a gas sampling device for measurements of the local catalytic activity on surfaces. The device basically consists of a quartz capillary mounted concentrically inside an aluminum tube. Reactant gas is blown toward...... the catalytic surface through the annulus between the tubes, and the gas is sampled close to the surface by the capillary. The influence of various design parameters on the lateral resolution and sensitivity of the measurements is investigated. It is found that the cuter diameter of the annulus sets the upper......, the limits of the range in reaction rate, which can be Studied are estimated. (c) 2005 Elsevier B.V. All rights reserved....

  2. Relation Between Acid and Catalytic Properties of Chlorinated Gamma-Alumina. a 31p Mas Nmr and Ftir Investigation

    Directory of Open Access Journals (Sweden)

    Guillaume D.

    1999-07-01

    Full Text Available In this paper, we have studied the effect of chlorine on the surface properties of gamma-alumina, especially on their acid properties. The use of FTIR spectroscopy and 31P MAS NMR of adsorbed trimethylphosphine allows to propose a chlorination mechanism. To correlate the surface properties of these chlorinated gamma-alumina with their catalytic properties, we have used a model reaction, the cracking of n-heptane under reforming conditions. The analysis of the correlation between acid properties determined by 31P MAS NMR and the catalytic results (in terms of activities and selectivities allows to identify which sites are involved in the cracking reaction.

  3. Structural and catalytic properties of a novel vanadium containing ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 125; Issue 1. Structural and catalytic properties of a novel vanadium containing solid core mesoporous silica shell catalysts for gas phase oxidation reaction. N Venkatathri Vijayamohanan K Pillai A Rajini M Nooka Raju I A K Reddy. Volume 125 Issue 1 January 2013 ...

  4. Catalytic properties of lipase from Ficus trichopoda and Euphorbia ...

    African Journals Online (AJOL)

    Objective: The search for lipase with distinct features, from plant latex is of great importance for industrial applications. The catalytic properties of lipases from Ficus trichopoda and Euphorbia unispina latex were characterized. Methodology and Results: Fresh latex from Ficus trichopoda and Euphorbia unispina were ...

  5. Trends in catalytic NO decomposition over transition metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe

    2007-01-01

    The formation of NOx from combustion of fossil and renewable fuels continues to be a dominant environmental issue. We take one step towards rationalizing trends in catalytic activity of transition metal catalysts for NO decomposition by combining microkinetic modelling with density functional...... theory calculations. We show specifically why the key problem in using transition metal surfaces to catalyze direct NO decomposition is their significant relative overbinding of atomic oxygen compared to atomic nitrogen....

  6. Novel catalytic properties of quadruple perovskites.

    Science.gov (United States)

    Yamada, Ikuya

    2017-01-01

    Quadruple perovskite oxides AA ' 3 B 4 O 12 demonstrate a rich variety of structural and electronic properties. A large number of constituent elements for A / A '/ B -site cations can be introduced using the ultra-high-pressure synthesis method. Development of novel functional materials consisting of earth-abundant elements plays a crucial role in current materials science. In this paper, functional properties, especially oxygen reaction catalysis, for quadruple perovskite oxides CaCu 3 Fe 4 O 12 and A Mn 7 O 12 ( A = Ca, La) composed of earth-abundant elements are reviewed.

  7. Synthesis and catalytic properties of metal and semiconductor nanoclusters

    Science.gov (United States)

    Wilcoxon, J. P.; Martino, T.; Klavetter, E.; Sylwester, A. P.

    Synthesis of metal or semiconductor nanoclusters in microheterogeneous oil-continuous inverse micelle systems is discussed. We focus on synthesis and catalytic properties of palladium, iron, and iron sulfide nanoclusters. Cluster size-control is achieved by changing the micelle size which is determined by small angle neutron scattering (SANS) and chosen to produce cluster in size range of 1-20 nm. Cluster sizes were determined by either transmission electron microscopy (TEM) or small-angle x-ray scattering (SAXS). Cluster structure was determined by either x-ray or electron diffraction. In the case of Fe nanoclusters, the crystal structure depended on the chemical nature of the surfactant micelle used in the synthesis, illustrating the important role of the surfactant during the growth process. Results of in-situ pyrene hydrogenation using size-selected Pd clusters show a significant increase in activity/total surface area as the size decreases. These clusters also proved effective as unsupported catalysts for direct coal hydropyrolysis, even at very low metal concentrations. Synthesis and optical features of a new semiconductor cluster material, FeS2, are discussed with regard to its use in photocatalysis. Application of FeS2 in coal hydrogenolysis reactions has improved yields of short chain hydrocarbons significantly compared to conventional FeS2 powders.

  8. Influence of Rare Earth Doping on the Structural and Catalytic Properties of Nanostructured Tin Oxide

    Directory of Open Access Journals (Sweden)

    Maciel Adeilton

    2008-01-01

    Full Text Available AbstractNanoparticles of tin oxide, doped with Ce and Y, were prepared using the polymeric precursor method. The structural variations of the tin oxide nanoparticles were characterized by means of nitrogen physisorption, carbon dioxide chemisorption, X-ray diffraction, and X-ray photoelectron spectroscopy. The synthesized samples, undoped and doped with the rare earths, were used to promote the ethanol steam reforming reaction. The SnO2-based nanoparticles were shown to be active catalysts for the ethanol steam reforming. The surface properties, such as surface area, basicity/base strength distribution, and catalytic activity/selectivity, were influenced by the rare earth doping of SnO2and also by the annealing temperatures. Doping led to chemical and micro-structural variations at the surface of the SnO2particles. Changes in the catalytic properties of the samples, such as selectivity toward ethylene, may be ascribed to different dopings and annealing temperatures.

  9. Peptide-Directed PdAu Nanoscale Surface Segregation: Toward Controlled Bimetallic Architecture for Catalytic Materials.

    Science.gov (United States)

    Bedford, Nicholas M; Showalter, Allison R; Woehl, Taylor J; Hughes, Zak E; Lee, Sungsik; Reinhart, Benjamin; Ertem, S Piril; Coughlin, E Bryan; Ren, Yang; Walsh, Tiffany R; Bunker, Bruce A

    2016-09-27

    Bimetallic nanoparticles are of immense scientific and technological interest given the synergistic properties observed when two different metallic species are mixed at the nanoscale. This is particularly prevalent in catalysis, where bimetallic nanoparticles often exhibit improved catalytic activity and durability over their monometallic counterparts. Yet despite intense research efforts, little is understood regarding how to optimize bimetallic surface composition and structure synthetically using rational design principles. Recently, it has been demonstrated that peptide-enabled routes for nanoparticle synthesis result in materials with sequence-dependent catalytic properties, providing an opportunity for rational design through sequence manipulation. In this study, bimetallic PdAu nanoparticles are synthesized with a small set of peptides containing known Pd and Au binding motifs. The resulting nanoparticles were extensively characterized using high-resolution scanning transmission electron microscopy, X-ray absorption spectroscopy, and high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Structural information obtained from synchrotron radiation methods was then used to generate model nanoparticle configurations using reverse Monte Carlo simulations, which illustrate sequence dependence in both surface structure and surface composition. Replica exchange with solute tempering molecular dynamics simulations were also used to predict the modes of peptide binding on monometallic surfaces, indicating that different sequences bind to the metal interfaces via different mechanisms. As a testbed reaction, electrocatalytic methanol oxidation experiments were performed, wherein differences in catalytic activity are clearly observed in materials with identical bimetallic composition. Taken together, this study indicates that peptides could be used to arrive at bimetallic surfaces with enhanced catalytic properties, which could be leveraged

  10. Catalytical Properties of Free and Immobilized Aspergillus niger Tannase

    Directory of Open Access Journals (Sweden)

    Abril Flores-Maltos

    2011-01-01

    Full Text Available 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 methyl gallate as substrates. KM and Vmax values for free enzyme were very similar for both substrates. But, after immobilization, KM and Vmax values increased drastically using tannic acid as substrate. These results indicated that immobilized tannase is a better biocatalyst than free enzyme for applications on liquid systems with high tannin content, such as bioremediation of tannery or olive-mill wastewater.

  11. SURFACE PROPERTIES AND CATALYTIC PERFORMANCE OF Pt ...

    African Journals Online (AJOL)

    2Provincial Key Laboratory of Coordination Chemistry, Jinggangshan University, Jian, 343009,. PR China. (Received ... Volatile organic compounds (VOCs), present in solvents, industrial processes, and combustion products ... Lanthanum nitrate, strontium nitrate, cobalt nitrate, EDTA and citric acid were of AR grade purity.

  12. THE SURFACE BEHAVIOUR AND CATALYTIC PROPERTIES OF ...

    African Journals Online (AJOL)

    stochiometric oxygen) with the K2NiF4 structure were prepared by the polyglycol gel method and used as catalysts for NO reduction. The samples were investigated by IR, TPD, TPR, and XRD methods and iodometry and the effects of the coefficient x ...

  13. Studies of Catalytic Properties of Inorganic Rock Matrices in Redox Reactions

    Directory of Open Access Journals (Sweden)

    Nikolay M. Dobrynkin

    2017-09-01

    Full Text Available Intrinsic catalytic properties of mineral matrices of various kinds (basalts, clays, sandstones were studied, which are of interest for in-situ heavy oil upgrading (i.e., underground to create advanced technologies for enhanced oil recovery. The elemental, surface and phase composition and matrix particle morphology, surface and acidic properties were studied using elemental analysis, X-ray diffraction, adsorption and desorption of nitrogen and ammonia. The data on the catalytic activity of inorganic matrices in ammonium nitrate decomposition (reaction with a large gassing, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltenes into maltenes (the conversion of heavy hydrocarbons into more valuable light hydrocarbons were discussed. In order to check their applicability for the asphaltenes hydrocracking catalytic systems development, basalt and clay matrices were used as supports for iron/basalt, nickel/basalt and iron/clay catalysts. The catalytic activity of the matrices in the reactions of the decomposition of ammonium nitrate, oxidation of hydrocarbons and carbon monoxide, and hydrocracking of asphaltens was observed for the first time.

  14. Influence of nanomorphology on the melting and catalytic properties of convex polyhedral nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Guisbiers, G., E-mail: gregory.guisbiers@physics.org [Research Institute for Science and Material Engineering, University of Mons, Chemistry Department of Interactions Between Plasma and Surfaces, CIRMAP (Belgium); Abudukelimu, G. [Yili Normal University, Department of Physical Sciences and Technology (China)

    2013-02-15

    It is well known today that the melting temperature and the catalytic activation energy of nanoparticles are size-dependent. These properties are here analyzed in a size range between 4 and 100 nm, with a special attention to sizes below 20 nm. Nevertheless, their unique properties are determined not only by their size but also by their shape defined by the relative area of different surface facets. In this paper, the influence of crystal structure and shape of the nanoparticles on the melting and catalytic properties are theoretically investigated. The theory is developed for cubic crystal structures i.e., simple cubic, body centered cubic, and face centered cubic. The following shapes are then considered: tetrahedron, cube, octahedron, decahedron, dodecahedron, rhombic dodecahedron, truncated octahedron, cuboctahedron, and icosahedron. The predictions were compared with available experimental data and molecular dynamics simulation results coming from the literature and relatively good agreement was obtained for gold, silver, nickel, and platinum nanoparticles.

  15. Induced Superaerophobicity onto a Non-superaerophobic Catalytic Surface for Enhanced Hydrogen Evolution Reaction.

    Science.gov (United States)

    Akbar, Kamran; Hussain, Sajjad; Truong, Linh; Roy, Sanjib Baran; Jeon, Jae Ho; Jerng, Sahng-Kyoon; Kim, Minsoo; Yi, Yeonjin; Jung, Jongwan; Chun, Seung-Hyun

    2017-12-20

    Despite tremendous progress in the development of novel electrocatalysts for hydrogen evolution reaction (HER), the accumulation of hydrogen gas bubbles produced on the catalyst surface has been rather poorly addressed. The bubbles block the surface of the electrode, thus resulting in poor performance even when excellent electrocatalysts are used. In this study, we show that vertically grown graphene nanohills (VGNHs) possess an excellent capability to quickly disengage the produced hydrogen gas bubbles from the electrode surface, and thus exhibit superaerophobic properties. To compensate for the poor electrolytic properties of graphene toward HER, the graphene surface was modified with WS 2 nanoparticles to accelerate the water-splitting process by using this hybrid catalyst (VGNHs-WS 2 ). For comparison purposes, WS 2 nanoparticles were also deposited on the flat graphene (FG) surface. Because of its superior superaerophobic properties, VGNHs-WS 2 outperformed FG-WS 2 in terms of both catalytic activity toward the HER and superaerophobicity. Furthermore, VGNHs-WS 2 exhibited a low onset potential (36 mV compared to 288 mV for FG-WS 2 ) and long-term stability in the HER over an extended period of 20 h. This study provides an efficient way to utilize highly conductive and superaerophobic VGNHs as support materials for intrinsic semiconductors, such as WS 2 , to simultaneously achieve superaerophobicity and high catalytic activity.

  16. Solid State, Surface and Catalytic Studies of Oxides

    Energy Technology Data Exchange (ETDEWEB)

    Kung, H. H.

    2004-11-23

    This project investigates the catalytic properties of oxides for the selective oxidative dehydrogenation of light alkanes and for hydrocarbon reduction of NO{sub x}. Various vanadium oxide based catalysts were investigated to elucidate the relationship between the chemical and structural properties of the catalysts and their selectivity for the formation of alkenes. It was found that vanadium oxide units that are less reducible give higher selectivities. For hydrocarbon reduction of NO{sub x}, it was found that alumina-based catalysts can be effective at higher temperatures than the corresponding zeolite-based catalysts. On some catalysts, such as SnO{sub 2}/Al{sub 2}O{sub 3}. Ag/Al{sub 2}O{sub 3}, the alumina participates directly in the reaction, making the catalyst bifunctional. These results are useful in research to improve the performance of this stress of catalysts.

  17. 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.

  18. 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.

  19. Effect of plasma-induced surface charging on catalytic processes: application to CO2 activation

    Science.gov (United States)

    Bal, Kristof M.; Huygh, Stijn; Bogaerts, Annemie; Neyts, Erik C.

    2018-02-01

    Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M = Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis.

  20. Tailoring Catalytic Properties of Pd/Co₃O₄ Catalysts via Structure Engineering for Methane Oxidation.

    Science.gov (United States)

    Chen, Lufei; Zhu, Yan

    2018-04-01

    The catalytic behavior of Co3O4 catalysts loaded by Pd for methane oxidation can be tailored by distinct spatial architectures and surface structures of such catalysts. Pd nanoparticles nested in Co3O4 with hexagonal-like microflakes exhibited superior catalytic activity, that is, T10 = 250 °C and T90 = 325 °C are correlated to 10% and 90% conversion of methane. Further Pd/Co3O4 microflakes catalyst can almost restore to its initial value in the absence of water when water vapor was cut off. This excellent catalysis should be attributed to its exposed more open surface, more active oxygen species and stronger redox properties.

  1. NOx Binding and Dissociation: Enhanced Ferroelectric Surface Chemistry by Catalytic Monolayers

    Science.gov (United States)

    Kakekhani, Arvin; Ismail-Beigi, Sohrab

    2013-03-01

    NOx molecules are regulated air pollutants produced during automotive combustion. As part of an effort to design viable catalysts for NOx decomposition operating at higher temperatures that would allow for improved fuel efficiency, we examine NOx chemistry on ferroelectric perovskite surfaces. Changing the direction of ferroelectric polarization can modify surface electronic properties and may lead to switchable surface chemistry. Here, we describe our recent work on potentially enhanced surface chemistry using catalytic RuO2 monolayers on perovskite ferroelectric substrates. In addition to thermodynamic stabilization of the RuO2 layer, we present results on the polarization-dependent binding of NO, O2, N2, and atomic O and N. We present results showing that one key problem with current catalysts, involving the difficulty of releasing dissociation products (especially oxygen), can be ameliorated by this method. Primary support from Toyota Motor Engineering and Manufacturing, North America, Inc.

  2. Ni-doped (CeO2- δ )-YSZ mesoarchitectured with nanocrystalline framework: the effect of thermal treatment on structure, surface chemistry and catalytic properties in the partial oxidation of methane (CPOM)

    Science.gov (United States)

    Somacescu, Simona; Florea, Mihaela; Osiceanu, Petre; Calderon-Moreno, Jose Maria; Ghica, Corneliu; Serra, Jose Manuel

    2015-11-01

    Ni-doped (CeO2- δ )-YSZ (5 mol% Ni oxide, 10 mol% ceria) mesoarchitectures (MA) with nanocrystalline framework have been synthesized by an original, facile and cheap approach based on Triton X100 nonionic surfactant as template and water as solvent at a strong basic pH value. Following the hydrothermal treatment under autogenous pressure ( 18 bars), Ni, Ce, Y, and Zr were well ordered as MA with nanocrystalline framework, assuring thermal stability. A comprehensive investigation of structure, texture, morphology, and surface chemistry was performed by means of a variety of complementary techniques (X-Ray Diffraction, XRD; Raman Spectroscopy, RS; Brunauer—Emmett—Teller, BET; Temperature—Programmed Reduction, TPR; Transmission Electron Microscopy, TEM and DF-STEM; X-ray Photoelectron Spectroscopy, XPS; Catalytic activity and selectivity). N2 sorption measurements highlighted that the mesoporous structure is formed at 600 °C and remains stable at 800 °C. At 900 °C, the MA collapses, favoring the formation of macropores. The XRD and Raman Spectroscopy of all samples showed the presence of a pure, single phase with fluorite-type structure. At 900 °C, an increased tetragonal distortion of the cubic lattice was observed. The surface chemistry probed by XPS exhibits a mixture of oxidation states (Ce3+ + Ce4+) with high percentage of Ce3+ valence state 35 % and (Ni3+ and Ni2+) oxidation states induced by the thermal treatment. These nanoparticles assembled into MA show high stability and selectivity over time in catalytic partial oxidation of methane (CPOM). These promising performances suggest an interesting prospect for introduction as anode within IT-SOFC assemblies.

  3. XPS and contact angle study of cotton surface oxidation by catalytic bleaching, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 296

    NARCIS (Netherlands)

    Topalovic, T.; Nierstrasz, Vincent; Bautista, J.; Bautista, Lorenzo; Jocic, Dragan; Jocic, D.; Navarro, Antonio; Warmoeskerken, Marinus

    2007-01-01

    Surface chemistry and wetting properties of cotton fibres as affected by catalytic bleaching have been investigated. Two types of cotton fabric have been analysed: the regular and a model cotton fabric. In the regular – double scoured cotton fabric, cellulose was contaminated with both non-removable

  4. Enhanced catalytic properties of mesoporous mordenite for benzylation of benzene with benzyl alcohol

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Sandeep K.; Viswanadham, Nagabhatla, E-mail: nagabhatla.viswanadham@gmail.com

    2017-01-15

    Graphical abstract: The nano size pores (∼10 nm) created in the microporous mordenite zeolite facilitated enhanced catalytic activity to produce as high as 97 wt.% yield of di-phenyl methane in the benzylation of benzene with benzyl alcohol at solvent-free liquid phase reaction conditions. - Highlights: • Nano pores of ∼10 nm size have been created in microporous mordenite. • Dealumination at optimized conditions resulted in enhanced properties of mordenite. • Hierarchically porous mordenite enhanced bulky catalytic reactions. • As high as 97% selectivity to Di-phenyl methane obtained. • Solvent-free, liquid phase alkylation catalyst with stable activity for reusability. - Abstract: Zeolite mordenite has been treated with nitric acid at different severities so as to facilitate the framework dealumination and optimization of the textural properties such as acidity and porosity. The samples obtained have been characterized by X-ray diffraction, FTIR, SEM, TEM, surface area, porosity by N{sub 2} adsorption and ammonia TPD. The resultant samples have been evaluated towards the bulky alkylation reaction of benzylation of benzene with benzyl alcohol. The studies indicated the improvement in the textural properties such as surface area, pore volume and acidity of the samples after the acid treatment. While, the phenomenon of enhancement in properties was exhibited by all the acid treated mordenite samples, the highest improvement in properties was observed at a particular condition of acid treatment (SM-2 sample). This particular sample also exhibited highest acidity and the presence of ∼10 nm size pores that resulted in the effective catalytic activity towards the bulky alkylation reaction of benzene with benzyl alcohol to produce high yields of di-phenyl methane.

  5. Effect of Dopant Loading on the Structural and Catalytic Properties of Mn-Doped SrTiO3 Catalysts for Catalytic Soot Combustion

    Directory of Open Access Journals (Sweden)

    Santiago Iván Suárez-Vázquez

    2018-02-01

    Full Text Available Soot particles have been associated with respiratory diseases and cancer. To decrease these emissions, perovskite-mixed oxides have been proposed due to their thermal stability and redox surface properties. In this work, SrTiO3 doped with different amounts of Mn were synthesized by the hydrothermal method and tested for soot combustion. Results show that at low Mn content, structural distortion, and higher Oads/Olat ratio were observed which was attributed to the high content of Mn3+ in Ti sites. On the other hand, increasing the Mn content led to surface segregation of manganese oxide. All synthesized catalysts showed mesopores in the range of 32–47 nm. In the catalytic combustion of soot, the samples synthesized in this work lowered the combustion temperature by more than 100 °C compared with the uncatalyzed reaction. The sample doped with 1 wt % of Mn showed the best catalytic activity. The activation energy of these samples was also calculated, and the order of decreasing activation energy is as follows: uncatalyzed > Mn0 > Mn8 > Mn4 > Mn1. The best catalytic activity for Mn1 was attributed to its physicochemical properties and the mobility of the oxygen from the bulk to the surface at temperatures higher than 500 °C.

  6. Evaluation of mechanical properties in metal wire mesh supported selective catalytic reduction (SCR) catalyst structures

    Science.gov (United States)

    Rajath, S.; Siddaraju, C.; Nandakishora, Y.; Roy, Sukumar

    2018-04-01

    The objective of this research is to evaluate certain specific mechanical properties of certain stainless steel wire mesh supported Selective catalytic reduction catalysts structures wherein the physical properties of the metal wire mesh and also its surface treatments played vital role thereby influencing the mechanical properties. As the adhesion between the stainless steel wire mesh and the catalyst material determines the bond strength and the erosion resistance of catalyst structures, surface modifications of the metal- wire mesh structure in order to facilitate the interface bonding is therefore very important to realize enhanced level of mechanical properties. One way to enhance such adhesion properties, the stainless steel wire mesh is treated with the various acids, i.e., chromic acid, phosphoric acid including certain mineral acids and combination of all those in various molar ratios that could generate surface active groups on metal surface that promotes good interface structure between the metal- wire mesh and metal oxide-based catalyst material and then the stainless steel wire mesh is dipped in the glass powder slurry containing some amount of organic binder. As a result of which the said catalyst material adheres to the metal-wire mesh surface more effectively that improves the erosion profile of supported catalysts structure including bond strength.

  7. The physicochemical properties and catalytic performance of carbon-covered alumina for oxidative dehydrogenation of ethylbenzene with CO2

    Science.gov (United States)

    Wang, Tehua; Chong, Siying; Wang, Tongtong; Lu, Huiyi; Ji, Min

    2018-01-01

    In order to correlate the physicochemical properties of carbon-covered alumina (CCA) materials with their catalytic performance for oxidative dehydrogenation of ethylbenzene with CO2 (CO2-ODEB), a series of CCA materials with diverse carbon contents (8.7-31.3 wt%) and pyrolysis temperatures (600-800 °C), which were synthesized via an impregnation method followed by pyrolysis, were applied. These catalytic materials were characterized by TGA, N2 physisorption, XRD, Raman spectroscopy and XPS techniques. It was found that the catalytic performance of these CCA materials highly depended on their physicochemical properties, and the optimum CCA catalyst exhibited much better catalytic stability than conventional hydroxyl carbon nanotubes. Below an optimum value of carbon content, the CCA catalyst preserved the main pore characteristics of the Al2O3 support and its catalytic activity increased with the carbon content. Excessive carbon loading resulted in significant textural alterations and thereby decreased both the ethylbenzene conversion and styrene selectivity. On the other hand, high pyrolysis temperature was detrimental to the ordered graphitic structure of the carbon species within the Al2O3 pore. The decreased ordered graphitic degree was found to be associated with the loss of the surface active carbonyl groups, consequently hampering the catalytic efficiency of the CCA catalyst.

  8. Nanotechnological Advances in Catalytic Thin Films for Green Large-Area Surfaces

    Directory of Open Access Journals (Sweden)

    Suzan Biran Ay

    2015-01-01

    Full Text Available Large-area catalytic thin films offer great potential for green technology applications in order to save energy, combat pollution, and reduce global warming. These films, either embedded with nanoparticles, shaped with nanostructuring techniques, hybridized with other systems, or functionalized with bionanotechnological methods, can include many different surface properties including photocatalytic, antifouling, abrasion resistant and mechanically resistive, self-cleaning, antibacterial, hydrophobic, and oleophobic features. Thus, surface functionalization with such advanced structuring methods is of significance to increase the performance and wide usage of large-area thin film coatings specifically for environmental remediation. In this review, we focus on methods to increase the efficiency of catalytic reactions in thin film and hence improve the performance in relevant applications while eliminating high cost with the purpose of widespread usage. However, we also include the most recent hybrid architectures, which have potential to make a transformational change in surface applications as soon as high quality and large area production techniques are available. Hence, we present and discuss research studies regarding both organic and inorganic methods that are used to structure thin films that have potential for large-area and eco-friendly coatings.

  9. Effect of surface structure on catalytic reactions: A sum frequency generation surface vibrational spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    McCrea, Keith Ryan [Univ. of California, Berkeley, CA (United States)

    2001-01-01

    In the results discussed above, it is clear that Sum Frequency Generation (SFG) is a unique tool that allows the detection of vibrational spectra of adsorbed molecules present on single crystal surfaces under catalytic reaction conditions. Not only is it possible to detect active surface intermediates, it is also possible to detect spectator species which are not responsible for the measured turnover rates. By correlating high-pressure SFG spectra under reaction conditions and gas chromatography (GC) kinetic data, it is possible to determine which species are important under reaction intermediates. Because of the flexibility of this technique for studying surface intermediates, it is possible to determine how the structures of single crystal surfaces affect the observed rates of catalytic reactions. As an example of a structure insensitive reaction, ethylene hydrogenation was explored on both Pt(111) and Pt(100). The rates were determined to be essentially the same. It was observed that both ethylidyne and di-σ bonded ethylene were present on the surface under reaction conditions on both crystals, although in different concentrations. This result shows that these two species are not responsible for the measured turnover rate, as it would be expected that one of the two crystals would be more active than the other, since the concentration of the surface intermediate would be different on the two crystals. The most likely active intermediates are weakly adsorbed molecules such as π-bonded ethylene and ethyl. These species are not easily detected because their concentration lies at the detection limit of SFG. The SFG spectra and GC data essentially show that ethylene hydrogenation is structure insensitive for Pt(111) and Pt(100). SFG has proven to be a unique and excellent technique for studying adsorbed species on single crystal surfaces under high-pressure catalytic reactions. Coupled with kinetic data obtained from gas chromatography measurements, it can give

  10. Eukaryotic expression system Pichia pastoris affects the lipase catalytic properties: a monolayer study.

    Directory of Open Access Journals (Sweden)

    Madiha Bou Ali

    Full Text Available Recombinant DNA methods are being widely used to express proteins in both prokaryotic and eukaryotic cells for both fundamental and applied research purposes. Expressed protein must be well characterized to be sure that it retains the same properties as the native one, especially when expressed protein will be used in the pharmaceutical field. In this aim, interfacial and kinetic properties of native, untagged recombinant and tagged recombinant forms of a pancreatic lipase were compared using the monomolecular film technique. Turkey pancreatic lipase (TPL was chosen as model. A kinetic study on the dependence of the stereoselectivity of these three forms on the surface pressure was performed using three dicaprin isomers spread in the form of monomolecular films at the air-water interface. The heterologous expression and the N-His-tag extension were found to modify the pressure preference and decrease the catalytic hydrolysis rate of three dicaprin isomers. Besides, the heterologous expression was found to change the TPL regioselectivity without affecting its stereospecificity contrary to the N-tag extension which retained that regioselectivity and changed the stereospecificity at high surface pressures. The study of parameters, termed Recombinant expression Effects on Catalysis (REC, N-Tag Effects on Catalysis (TEC, and N-Tag and Recombinant expression Effects on Catalysis (TREC showed that the heterologous expression effects on the catalytic properties of the TPL were more deleterious than the presence of an N-terminal tag extension.

  11. Catalytic properties and dynamic behaviour of uranium complexes

    International Nuclear Information System (INIS)

    Le Marechal, J.F.

    1986-01-01

    The catalytic properties of organometallic uranium III and IV compounds in solution as well as reaction mechanisms are studied. The structure in solution of CpUCl 3 L 2 (L=THF, HMPA, OPPh 3 , OP(OR) 3 ) is investigated. When L=HMPA, the complex exists in two isomers in equilibrium with the L ligands either in trans or mer-cis configuration. The isomerization (Ea=92 kJ mol -1 ) as well as the bimolecular exchange with an outer sphere ligand L are observable in 1 H and 31 P NMR, and quantified with the spin saturation transfer technique in several solvents and at different temperatures between 230 and 330 K. This property is extended to other ligands. The compound U(AlH 4 ) 3 is synthetized. This compound catalyses the hydroalumination of olefins by LiAlH 4 with a very good anti-Markovnikov regioselectivity. A simple mechanism for this reaction is suggested. The reactions of the organoaluminates products with several reactants (D 2 O, I 2 , CH 2 O, Allyl-Br...) has been shown to be a powerful synthetic tool. Some specific alkenes and alkynes exhibit an interesting behaviour as dimerization or β-alkyl elimination which is easily interpreted by our mechanism [fr

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

    International Nuclear Information System (INIS)

    Spiel, C.

    2012-01-01

    The aim of this thesis was to investigate the properties of catalytically active platinum surfaces and interfaces both with experimental and theoretical methods. Using experimental methods, catalytic CO oxidation on individual grains of a polycrystalline platinum foil was studied in situ under high vacuum (HV) conditions. A polycrystalline platinum foil consists of individual µm-sized crystal grains that are mainly [100]-, [110]- and [111]-oriented and differ significantly in their catalytic activity. In order to elucidate the differences existing between the reactivity of the individual grains, a combination of photoemission electron microscopy (PEEM) and quadrupole mass spectrometry (QMS) was used in this work. The working principle of PEEM is based on the photoelectric effect where illumination of the sample with (UV-)light causes emission of photoelectrons. The emitted photoelectrons are used to visualize the sample surface (with typical resolution in the low micrometer range). The PEEM image contrast originates from differences in the local work function that may arise due to different crystallographic orientations and/or changes in the adsorbate coverage. With a combination of PEEM and QMS, it was possible to study the kinetics of catalytic CO oxidation on polycrystalline platinum foil both in a global and a laterally-resolved way simultaneously. If catalytic CO oxidation on surfaces of platinum is followed at constant temperature and oxygen partial pressure under cyclic variation of the CO pressure, a hysteresis in the CO2 production rate is observed in the bistability region with two noticeable kinetic transitions (called tA and tB) taking place at different CO pressures when the catalyst surface switches back-and-forth between two steady states of high and low reactivity while the Pt-surface is, correspondingly, either oxygen- or CO-covered. In the bistability region between τ A and τ B , the system stays (at the same values of the external parameters p

  13. Facile synthesis and catalytic properties of silver colloidal ...

    Indian Academy of Sciences (India)

    Administrator

    obtained with high dispersion (2–3 nm), which has high catalytic activity on reduction of 4-nitrobenzoic acid to 4-aminobenzoic acid. Keywords. Silver colloidal nanoparticles; SDBS; catalytic reduction; 4-nitrobenzoic acid. 1. Introduction. Silver colloidal nanoparticles (AgCNPs) have been studied extensively in catalysis ...

  14. The structure and catalytic properties of Rh-doped CeO2catalysts.

    Science.gov (United States)

    Derevyannikova, E A; Kardash, T Yu; Kibis, L S; Slavinskaya, E M; Svetlichnyi, V A; Stonkus, O A; Ivanova, A S; Boronin, A I

    2017-12-06

    The average structure and the local structure of nanocrystalline Rh-doped CeO 2 catalysts, prepared using a co-precipitation method, were studied using a set of structural (PDF, HRTEM, XRD) and spectral (XPS, Raman spectroscopy) methods. The samples with Rh content less than 10 wt%, calcined at 450 °C, were homogeneous solid solutions. A comparison of the experimental results and Pair distribution function (PDF) modeling data showed that Rh 3+ substitutes Ce 4+ ions in the fluorite phase. Charge equilibrium is obtained by the oxygen vacancy for each Rh 3+ cation introduced into the ceria cell. The solid solution demonstrated high catalytic activity in low-temperature CO oxidation (LTO CO). The solid solutions were stable only in a nanocrystalline state and decomposed upon thermal treatment. The calcination of the solid solution at T > 450 °C results in a decrease in the catalytic activity that is accompanied by Rh association in the subsurface area and strong distortion of the anionic subcell. At T = 800 °C α-Rh 2 O 3 nanoparticles are formed on the surface of the fluorite phase. The XRD-detectable Rh oxide phases are formed after calcination at 1000 °C. However, some parts of Rh within the subsurface Rh x Ce 1-x O 2-δ solid solution remain and they preserve catalytic properties for low-temperature oxidation.

  15. Structure and Catalytic Properties of Pt-Modified Hyper-Cross-Linked Polystyrene Exhibiting Hierarchical Porosity

    OpenAIRE

    Bronstein, L.; Goerigk, G.; Lakina, N.; Spontak, R.; Kostylev, M.; Pink, M.; Khotina, I.; Valetsky, P.; Matveeva, V.; Sulman, E.; Sulman, M.; Bykov, A.

    2004-01-01

    The structural transformation and catalytic properties of metal/polymer nanocomposites derived from hypercross-linked polystyrene (HPS) exhibiting both microporosity and macroporosity, and filled with Pt nanoparticles, are investigated in the direct oxidation Of L-sorbose to 2-keto-L-gulonic acid. Transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, anomalous small-angle X-ray scattering, and catalytic studies suggest that the catalytically active species, na...

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

    KAUST Repository

    Hong, Jongsup

    2013-10-01

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

  17. 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)

  18. 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)

  19. Freestanding palladium nanosheets with plasmonic and catalytic properties

    Science.gov (United States)

    Huang, Xiaoqing; Tang, Shaoheng; Mu, Xiaoliang; Dai, Yan; Chen, Guangxu; Zhou, Zhiyou; Ruan, Fangxiong; Yang, Zhilin; Zheng, Nanfeng

    2011-01-01

    Ultrathin metal films can exhibit quantum size and surface effects that give rise to unique physical and chemical properties. Metal films containing just a few layers of atoms can be fabricated on substrates using deposition techniques, but the production of freestanding ultrathin structures remains a significant challenge. Here we report the facile synthesis of freestanding hexagonal palladium nanosheets that are less than 10 atomic layers thick, using carbon monoxide as a surface confining agent. The as-prepared nanosheets are blue in colour and exhibit a well-defined but tunable surface plasmon resonance peak in the near-infrared region. The combination of photothermal stability and biocompatibility makes palladium nanosheets promising candidates for photothermal therapy. The nanosheets also exhibit electrocatalytic activity for the oxidation of formic acid that is 2.5 times greater than that of commercial palladium black catalyst.

  20. Surface properties of beached plastics.

    Science.gov (United States)

    Fotopoulou, Kalliopi N; Karapanagioti, Hrissi K

    2015-07-01

    Studying plastic characteristics in the marine environment is important to better understand interaction between plastics and the environment. In the present study, high-density polyethylene (HDPE), polyethylene terephalate (PET), and polyvinyl chloride (PVC) samples were collected from the coastal environment in order to study their surface properties. Surface properties such as surface functional groups, surface topography, point of zero charge, and color change are important factors that change during degradation. Eroded HDPE demonstrated an altered surface topography and color and new functional groups. Eroded PET surface was uneven, yellow, and occasionally, colonized by microbes. A decrease in Fourier transform infrared (FTIR) peaks was observed for eroded PET suggesting that degradation had occurred. For eroded PVC, its surface became more lamellar and a new FTIR peak was observed. These surface properties were obtained due to degradation and could be used to explain the interaction between plastics, microbes, and pollutants.

  1. Investigating the Synthesis, Structure, and Catalytic Properties of Versatile Gold-Based Nanocatalvsts

    Science.gov (United States)

    Pretzer, Lori A.

    Transition metal nanomaterials are used to catalyze many chemical reactions, including those key to environmental, medicinal, and petrochemical fields. Improving their catalytic properties and lifetime would have significant economic and environmental rewards. Potentially expedient options to make such advancements are to alter the shape, size, or composition of transition metal nanocatalysts. This work investigates the relationships between structure and catalytic properties of synthesized Au, Pd-on-Au, and Au-enzyme model transition metal nanocatalysts. Au and Pd-on-Au nanomaterials were studied due to their wide-spread application and structure-dependent electronic and geometric properties. The goal of this thesis is to contribute design procedures and synthesis methods that enable the preparation of more efficient transition metal nanocatalysts. The influence of the size and composition of Pd-on-Au nanoparticles (NPs) was systematically investigated and each was found to affect the catalyst's surface structure and catalytic properties. The catalytic hydrodechlorination of trichloroethene and reduction of 4-nitrophenol by Pd-on-Au nanoparticles were investigated as these reactions are useful for environmental and pharmaceutical synthesis applications, respectively. Structural characterization revealed that the dispersion and oxidation state of surface Pd atoms are controlled by the Au particle size and concentration of Pd. These structural changes are correlated with observed Pd-on-Au NP activities for both probe reactions, providing new insight into the structure-activity relationships of bimetallic nanocatalysts. Using the structure-dependent electronic properties of Au NPs, a new type of light-triggered biocatalyst was prepared and used to remotely control a model biochemical reaction. This biocatalyst consists of a model thermophilic glucokinase enzyme covalently attached to the surface of Au nanorods. The rod-like shape of the Au nanoparticles made the

  2. Electro-catalytic properties of tri-(Fe, Co and Ni shungite composites

    Directory of Open Access Journals (Sweden)

    Bazarbay Serikbayev

    2012-03-01

    Full Text Available The article presents the results of electrochemical investigations obtained on carbon paste electrodes (CPE of shungite from the land Koksu. Electrochemical and electro-catalytic properties of shungite modified with iron, cobalt and nickel were compared.

  3. Surface properties of HMX crystal

    Science.gov (United States)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  4. CATALYTIC PROPERTIES AND ACIDITY OF MODIFIED MCM-41 ...

    African Journals Online (AJOL)

    a

    obtain H-form catalysts, samples were heated to remove the NH3 gas. Catalytic tests ... connected to a Perkin-Elmer gas phase chromatograph equipped with a flame ionisation detector and Perkin-Elmer ..... exchanged with noble metals present some disadvantages such as high cost of platinum or palladium, rapid ...

  5. Catalytic properties of ADAM12 and its domain deletion mutants

    DEFF Research Database (Denmark)

    Jacobsen, Jonas; Visse, Robert; Sørensen, Hans Peter

    2008-01-01

    of pro, catalytic, disintegrin, cysteine-rich, and EGF domains. Here we present a novel activity of recombinant ADAM12-S and its domain deletion mutants on S-carboxymethylated transferrin (Cm-Tf). Cleavage of Cm-Tf occurred at multiple sites, and N-terminal sequencing showed that the enzyme exhibits...

  6. 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

    -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...

  7. Adatom surface diffusion of catalytic metals on the anatase TiO2(101) surface.

    Science.gov (United States)

    Alghannam, Afnan; Muhich, Christopher L; Musgrave, Charles B

    2017-02-08

    Titanium oxide is often decorated with metal nano-particles and either serves as a catalyst support or enables photocatalytic activity. The activity of these systems degrades over time due to catalytic particle agglomeration and growth by Ostwald ripening where adatoms dissociate from metal particles, diffuse across the surface and add to other metal particles. In this work, we use density functional theory calculations to study the diffusion mechanisms of select group VIII and 1B late-transition metal adatoms commonly used in catalysis and photocatalysis (Au, Ag, Cu, Pt, Rh, Ni, Co and Fe) on the anatase TiO 2 (101) surface. All metal adatoms preferentially occupy the bridge site between two 2-fold-coordinated oxygen anions (O 2c ). Surface migration was investigated by calculating the minimum energy pathway from one bridge site to another along three pathways: two in the [010] direction along a row of surface O 2c anions and one in the [101[combining macron

  8. Study on catalytic properties and carbon deposition of Ni-Cu/SBA-15 for cyclohexane dehydrogenation

    Science.gov (United States)

    Xia, Zhijun; Liu, Huayan; Lu, Hanfeng; Zhang, Zekai; Chen, Yinfei

    2017-11-01

    A series of Ni-Cu supported on SBA-15 were prepared by impregnation, and used as catalysts in cyclohexane dehydrogenation for hydrogen production. The results indicated that the addition of Cu into Ni changes the crystal structure of metal Ni, and forms Ni-Cu alloy. Thus, Cu improves the reduction properties of Ni. Conversely, Ni stables and disperses metal Cu. With the space limitation of the ordered channels and high surface area of SBA-15, the bimetallic Ni-Cu/SBA-15 catalysts expose large amounts of selective active sites composed uniformly with Ni and Cu. Therefore, they present not only excellent catalytic performance for cyclohexane dehydrogenation, but also low coke formation. The in-situ DRIFT studies have shown the vinyl species, indicating the existence of alkenes in the reactive intermediates. Additionally, the strong absorption of benzene on the metal could induce benzene was dehydrogenated further to carbon.

  9. Synthesis of ultrasmall Li-Mn spinel oxides exhibiting unusual ion exchange, electrochemical, and catalytic properties

    Science.gov (United States)

    Miyamoto, Yumi; Kuroda, Yoshiyuki; Uematsu, Tsubasa; Oshikawa, Hiroyuki; Shibata, Naoya; Ikuhara, Yuichi; Suzuki, Kosuke; Hibino, Mitsuhiro; Yamaguchi, Kazuya; Mizuno, Noritaka

    2015-10-01

    The efficient surface reaction and rapid ion diffusion of nanocrystalline metal oxides have prompted considerable research interest for the development of high functional materials. Herein, we present a novel low-temperature method to synthesize ultrasmall nanocrystalline spinel oxides by controlling the hydration of coexisting metal cations in an organic solvent. This method selectively led to Li-Mn spinel oxides by tuning the hydration of Li+ ions under mild reaction conditions (i.e., low temperature and short reaction time). These particles exhibited an ultrasmall crystallite size of 2.3 nm and a large specific surface area of 371 ± 15 m2 g-1. They exhibited unique properties such as unusual topotactic Li+/H+ ion exchange, high-rate discharge ability, and high catalytic performance for several aerobic oxidation reactions, by creating surface phenomena throughout the particles. These properties differed significantly from those of Li-Mn spinel oxides obtained by conventional solid-state methods.

  10. Synthesis of ultrasmall Li–Mn spinel oxides exhibiting unusual ion exchange, electrochemical, and catalytic properties

    Science.gov (United States)

    Miyamoto, Yumi; Kuroda, Yoshiyuki; Uematsu, Tsubasa; Oshikawa, Hiroyuki; Shibata, Naoya; Ikuhara, Yuichi; Suzuki, Kosuke; Hibino, Mitsuhiro; Yamaguchi, Kazuya; Mizuno, Noritaka

    2015-01-01

    The efficient surface reaction and rapid ion diffusion of nanocrystalline metal oxides have prompted considerable research interest for the development of high functional materials. Herein, we present a novel low-temperature method to synthesize ultrasmall nanocrystalline spinel oxides by controlling the hydration of coexisting metal cations in an organic solvent. This method selectively led to Li–Mn spinel oxides by tuning the hydration of Li+ ions under mild reaction conditions (i.e., low temperature and short reaction time). These particles exhibited an ultrasmall crystallite size of 2.3 nm and a large specific surface area of 371 ± 15 m2 g−1. They exhibited unique properties such as unusual topotactic Li+/H+ ion exchange, high-rate discharge ability, and high catalytic performance for several aerobic oxidation reactions, by creating surface phenomena throughout the particles. These properties differed significantly from those of Li–Mn spinel oxides obtained by conventional solid-state methods. PMID:26456216

  11. High-pressure catalytic reactions over single-crystal metal surfaces

    Science.gov (United States)

    Rodriguez, JoséA.; Wayne Goodman, D.

    1991-11-01

    Studies dealing with high-pressure catalytic reactions over single-crystal surfaces are reviewed. The coupling of an apparatus for the measurement of reaction kinetics at elevated pressures with an ultrahigh vacuum system for surface analysis allows detailed study of structure sensitivity, the effects of promoters and inhibitors on catalytic activity, and, in certain cases, identification of reaction intermediates by post-reaction surface analysis. Examples are provided which demonstrate the relevance of single-crystal studies for modeling the behaviour of high-surface-area supported catalysts. Studies of CO methanation and CO oxidation over single-crystal surfaces provide convincing evidence that these reactions are structure insensitive. For structure-sensitive reactions (ammonia synthesis, alkane hydrogenolysis, alkane isomerization, water-gas shift reaction, etc.) model single-crystal studies allow correlations to be established between surface structure and catalytic activity. The effects of both electronegative (S and P) and electropositive (alkali metals) impurities upon the catalytic activity of metal single crystals for ammonia synthesis, CO methanation, alkane hydrogenolysis, ethylene epoxidation and water-gas shift are discussed. The roles of "ensemble" and "ligand" effects in bimetallic catalysts are examined in light of data obtained using surfaces prepared by vapor-depositing one metal onto a crystal face of a dissimilar metal.

  12. Green and facile synthesis of fibrous Ag/cotton composites and their catalytic properties for 4-nitrophenol reduction

    Science.gov (United States)

    Li, Ziyu; Jia, Zhigang; Ni, Tao; Li, Shengbiao

    2017-12-01

    Natural cotton, featuring abundant oxygen-containing functional groups, has been utilized as a reductant to synthesize Ag nanoparticles on its surface. Through the facile and environment-friendly reduction process, the fibrous Ag/cotton composite (FAC) was conveniently synthesized. Various characterization techniques including XRD, XPS, TEM, SEM, EDS and FT-IR had been utilized to study the material microstructure and surface properties. The resulting FAC exhibited favorable activity on the catalytic reduction of 4-nitrophenol with high reaction rate. Moreover, the fibrous Ag/cotton composites were capable to form a desirable catalytic mat for catalyzing and simultaneous product separation. Reactants passing through the mat could be catalytically transformed to product, which is of great significance for water treatment. Such catalyst (FAC) was thus expected to have the potential as a highly efficient, cost-effective and eco-friendly catalyst for industrial applications. More importantly, this newly developed synthetic methodology could serve as a general tool to design and synthesize other metal/biomass composites catalysts for a wider range of catalytic applications.

  13. Catalytic properties of three catalases from Kohlrabi ( Brassica ...

    African Journals Online (AJOL)

    Catalase (EC 1.11.1.6) was extracted from kohlrabi bulbs (Brassica oleracea gongylodes) with 0.05 M phosphate buffer, pH 7.0. On the basis of kinetic studies and activity stain for catalase, only three isoenzymes of catalases were detected in kohlrabi bulbs extract with pH optima at 4.5, 6.5 and 10. Highest catalytic ...

  14. Catalytic and physical properties of γ-irradiated catalase in dilute solution

    International Nuclear Information System (INIS)

    Gasyna, Z.; Bachman, S.

    1974-01-01

    The catalytic and physical properties of irradiated beef liver catalase have been studied. Modification of the enzyme by γ-rays brings about its reducibility by dithionite. The decrease of the catalytic activity is found to correspond to the decrease in the content of nonreducible catalase. Microaggregates of catalase molecules induced by irradiation have been fractionated. The results lead to the conclusion that aggregates are composed of active and modified catalase monomers. (author)

  15. A new surface catalytic model for silica-based thermal protection material for hypersonic vehicles

    Directory of Open Access Journals (Sweden)

    Li Kai

    2015-10-01

    Full Text Available Silica-based materials are widely employed in the thermal protection system for hypersonic vehicles, and the investigation of their catalytic characteristics is crucially important for accurate aerothermal heating prediction. By analyzing the disadvantages of Norman’s high and low temperature models, this paper combines the two models and proposes an eight-reaction combined surface catalytic model to describe the catalysis between oxygen and silica surface. Given proper evaluation of the parameters according to many references, the recombination coefficient obtained shows good agreement with experimental data. The catalytic mechanisms between oxygen and silica surface are then analyzed. Results show that with the increase of the wall temperature, the dominant reaction contributing to catalytic coefficient varies from Langmuir–Hinshelwood (LH recombination (TW  1350 K. The surface coverage of chemisorption areas varies evidently with the dominant reactions in the high temperature (HT range, while the surface coverage of physisorption areas varies within quite low temperature (LT range (TW < 250 K. Recommended evaluation of partial parameters is also given.

  16. Improving the Catalytic Property of the Glycoside Hydrolase LXYL-P1–2 by Directed Evolution

    Directory of Open Access Journals (Sweden)

    Jing-Jing Chen

    2017-12-01

    Full Text Available The glycoside hydrolase LXYL-P1–2 from Lentinula edodes can specifically hydrolyze 7-β-xylosyltaxanes to form 7-β-hydroxyltaxanes for the semi-synthesis of paclitaxel. In order to improve the catalytic properties of the enzyme, we performed error-prone PCR to construct the random mutant library of LXYL-P1–2 and used the methanol-induced plate method to screen the mutants with improved catalytic properties. Two variants, LXYL-P1–2-EP1 (EP1, S91D mutation and LXYL-P1–2-EP2 (EP2, T368E mutation, were obtained from the library and exhibited 17% and 47% increases in their catalytic efficiencies on 7-β-xylosyl-10-deacetyltaxol. Meanwhile, compared with LXYL-P1–2, EP1 and EP2 showed elevated stabilities in the range of pH ≥ 6 conditions. After treatment at pH 12 for 48 h, EP1 and EP2 retained 77% and 63% activities, respectively, while the wild-type only retained 33% activity under the same condition. Molecular docking results revealed that the S91D mutation led to a shorter distance between the R-chain and the substrate, while the T368E mutation increased negative charge at the surface of the enzyme, and may introduce alterations of the loop near the active pocket, both of which may result in improved stabilities and catalytic activities of enzymes. This study provides a practical directed evolution method for exploring catalytically improved glycoside hydrolase.

  17. Stochastic Modeling and Deterministic Limit of Catalytic Surface Processes

    DEFF Research Database (Denmark)

    Starke, Jens; Reichert, Christian; Eiswirth, Markus

    2007-01-01

    Three levels of modeling, microscopic, mesoscopic and macroscopic are discussed for the CO oxidation on low-index platinum single crystal surfaces. The introduced models on the microscopic and mesoscopic level are stochastic while the model on the macroscopic level is deterministic. It can......, such that in contrast to the microscopic model the spatial resolution is reduced. The derivation of deterministic limit equations is in correspondence with the successful description of experiments under low-pressure conditions by deterministic reaction-diffusion equations while for intermediate pressures phenomena...

  18. Catalytic Properties of Lipase Extracts from Aspergillus niger

    Directory of Open Access Journals (Sweden)

    Cintia M. Romero

    2006-01-01

    Full Text Available Screening of lipolytic strains using Rhodamine-B/olive oil plate technique allowed the selection of Aspergillus niger MYA 135. Lipase production in submerged culture containing 2 % olive oil was enhanced by more than 50 % compared to basal cultural conditions. Optimal catalytic conditions for olive oil-induced lipase were pH=6.5 and 30–35 °C. These values were shifted to the acid region (4.0–6.5 and 35–37 °C when lipase extract was produced under basal conditions. Slight changes of the residual lipase activity against the pH were found. However, preincubation at either 37 or 40 °C caused an increase in the olive oil-inducible lipolytic activity. On the contrary, lipase residual activity decreases in the 30–55 °C range when it was produced in basal medium. Lipolytic extracts were almost not deactivated in presence of 50 % water-miscible organic solvents. However, water-immiscible aliphatic solvents reduced the lipase activity between 20 and 80 %.

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

    Directory of Open Access Journals (Sweden)

    Anandakumari Chandrasekharan Sunil Sekhar

    2016-05-01

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

  20. A phosphate-dependent shift in redox state of cerium oxide nanoparticles and its effects on catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Sanjay; Dosani, Talib; Karakoti, Ajay S.; Kumar, Amit; Seal, Sudipta; Self, William

    2011-10-01

    Cerium oxide nanoparticles (CeNPs) have shown promise as catalytic antioxidants in cell culture and animal models as both superoxide dismutase and catalase mimetics. The reactivity of the cerium (Ce) atoms at the surface of its oxide particle is critical to such therapeutic properties, yet little is known about the potential for a protein or small molecule corona to form on these materials in vivo. Moreover Ce atoms in these active sites have the potential to interact with small molecule anions, peptides, or sugars when administered in culture or animal models. Several nanomaterials have been shown to alter or aggregate under these conditions, rendering them less useful for biomedical applications. In this work we have studied the change in catalytic properties of CeNPs when exposed to various biologically relevant conditions in vitro. We have found that CeNPs are resistant to broad changes in pH and also not altered by incubation in cell culture medium. However to our surprise phosphate anions significantly altered the characteristics of these nanomaterials and shifted the catalytic behavior due to the binding of phosphate anions to cerium. Given the abundance of phosphate in biological systems in an inorganic form, it is likely that the action of CeNPs as a catalyst may be strongly influenced by the local concentration of phosphate in the cells and/or tissues in which it has been introduced.

  1. Catalytic property of TiO2/PS complex nanoparticles prepared via a ...

    Indian Academy of Sciences (India)

    catalyst for polymerization of styrene and Ti source, and styrene monomer and characterized by TG-DTA, XRD,. IR, TEM and UV-Vis techniques. Its catalytic property was evaluated by the decolourization and degradation of dye MB solution under the natural light. From its TEM, the particles with an average size of 7 nm were ...

  2. Catalytic property of TiO2/PS complex nanoparticles prepared via a ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 33; Issue 6 ... With an average size of 7 nm and good catalytic property under the natural light, TiO2/PS complex nanoparticles were successfully prepared through a novel two-step method (TSM) from TiCl4, used as both the catalyst for polymerization of styrene and Ti ...

  3. Vesta surface thermal properties map

    Science.gov (United States)

    Capria, Maria Teresa; Tosi, F.; De Santis, Maria Cristina; Capaccioni, F.; Ammannito, E.; Frigeri, A.; Zambon, F; Fonte, S.; Palomba, E.; Turrini, D.; Titus, T.N.; Schroder, S.E.; Toplis, M.J.; Liu, J.Y.; Combe, J.-P.; Raymond, C.A.; Russell, C.T.

    2014-01-01

    The first ever regional thermal properties map of Vesta has been derived from the temperatures retrieved by infrared data by the mission Dawn. The low average value of thermal inertia, 30 ± 10 J m−2 s−0.5 K−1, indicates a surface covered by a fine regolith. A range of thermal inertia values suggesting terrains with different physical properties has been determined. The lower thermal inertia of the regions north of the equator suggests that they are covered by an older, more processed surface. A few specific areas have higher than average thermal inertia values, indicative of a more compact material. The highest thermal inertia value has been determined on the Marcia crater, known for its pitted terrain and the presence of hydroxyl in the ejecta. Our results suggest that this type of terrain can be the result of soil compaction following the degassing of a local subsurface reservoir of volatiles.

  4. 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)

  5. Structural and catalytic properties of a novel vanadium containing ...

    Indian Academy of Sciences (India)

    In order to achieve the better activity and selectivity, effect of temperature, ... Table 1. Physical properties of mesoporous V – silica. S. No. ... mal analysis. It shows about 60% exothermic weight loss on calination in the presence of air from room tem- perature to 900. ◦. C. But vanadium containing nanosilica losses only 25%.

  6. Further investigation on boric acid catalytic graphitization of polyacrylonitrile carbon fibers: Mechanism and mechanical properties

    International Nuclear Information System (INIS)

    Wen, Ya; Lu, Yonggen; Xiao, Hao; Qin, Xianying

    2012-01-01

    Highlights: ► The modulus of carbon fiber was improved by boric acid at the temperature range of 1500–2900 °C. ► 2300 °C is a key temperature degree from which the boron began to benefit fiber strength. ► The fiber strength was affected by the boron reaction and related to the boron states. -- Abstract: Catalytic graphitization of polyacrylonitrile based carbon fibers by boric acid doping was studied and the dependence of fiber tensile strength on the boron content and temperature was discussed. It was found that there existed a key temperature point for the boron to take effect. When the fibers were modified with 7.0 wt.% boric acid solution, with increasing temperature, the tensile strength was lower than that of the unmodified ones below 2300 °C, but a reverse thing happened above 2300 °C. Moreover, when being heated at 2500 °C, the modified fibers showed an increasing tensile modulus and strength with increasing boron content till maximums of 404 GPa and 2.46 GPa, 26% and 16% higher than those of unmodified ones. The mechanical properties of the fibers were affected by the interaction of carbon and boron, and also related with boron states. The decomposition of boron acid and its interaction with carbon brought defects on fiber surface, degrading the mechanical properties below 1300 °C. With further heat treatment, the boron diffused into the fibers and divided into two states: substitutional and interstitial. At a temperature over 2300 °C with an appreciate boron content, the substitutional would be formed predominantly, which removed the structural defects and relaxed the distortions, so as to benefit the mechanical properties.

  7. Properties of gasification-derived char and its utilization for catalytic tar reforming

    Science.gov (United States)

    Qian, Kezhen

    Char is a low-value byproduct of biomass gasification and pyrolysis with many potential applications, such as soil amendment and the synthesis of activated carbon. The overall goal of the proposed research was to develop novel methods to use char derived from gasification for high-value applications in syngas conditioning. The first objective was to investigate effects of gasification condition and feedstock on properties of char derived from fluidized bed gasification. Results show that the surface areas of most of the char were 1--10 m 2/g and increased as the equivalence ratio increased. Char moisture and fixed carbon contents decreased while ash content increased as equivalence ratio increased. The next objective was to study the properties of sorghum and red cedar char derived from downdraft gasifier. Red cedar char contained more aliphatic carbon and o-alkyl carbon than sorghum char. Char derived from downdraft gasification had higher heating values and lower ash contents than char derived from fluidized bed gasification. The gasification reactivity of red cedar char was higher than that of sorghum char. Then, red cedar char based catalysts were developed with different preparation method to reform toluene and naphthalene as model tars. The catalyst prepared with nickel nitrate was found to be better than that with nickel acetate. The nickel particle size of catalyst impregnated with nickel nitrate was smaller than that of catalyst impregnated with nickel acetate. The particle size of catalyst impregnated with nickel acetate decreased by hydrazine reduction. The catalyst impregnated with nickel nitrate had the highest toluene removal efficiency, which was 70%--100% at 600--800 °C. The presence of naphthalene in tar reduced the catalyst efficiency. The toluene conversion was 36--99% and the naphthalene conversion was 37%--93% at 700--900 °C. Finally, effects of atmosphere and pressure on catalytic reforming of lignin-derived tars over the developed catalyst

  8. Photo-catalytic properties of doped or substituted polyaniline-coated Fe3O4 nanoparticles

    Science.gov (United States)

    Zhang, Fan; Song, Weijie; Zhao, Zongshan; Cheng, Yang

    2014-10-01

    In this work, doped and substituted polyaniline (PANI)-coated Fe3O4 nanoparticles were synthesized. The diameter of Fe3O4 core was 430 nm, and the thickness of PANI shell was 20 nm. Their photo-catalytic properties for methyl orange were investigated under natural light illumination. The photo-catalytic activity sequence of three doped PANI/Fe3O4 nanoparticles is as follows: iodine doping > without doping > graphite powder doping. This should be due to the difference of structure, conductivity, and band gap resulting from the dopants. The photo-catalytic activity of five substituted PANI/Fe3O4 nanoparticles followed the order of poly(1,2-diaminobenzene) > poly( o-toluidine) > poly(1,3-diaminobenzene) > PANI > polydiphenylamine. The effects of steric hindrance, activated ability, and conjugation of the substituents on the photo-catalytic properties were discussed. The ESR results suggested that O2 and H2O2 dissolved in the solutions were important factors on the photo-degradation, and the ·OH generated via h+-mediated pathway was the key oxidizing substance.

  9. Surface hydrophobicity and acidity effect on alumina catalyst in catalytic methanol dehydration reaction.

    Science.gov (United States)

    Osman, Ahmed I; Abu-Dahrieh, Jehad K; Rooney, David W; Thompson, Jillian; Halawy, Samih A; Mohamed, Mohamed A

    2017-12-01

    Methanol to dimethyl ether (MTD) is considered one of the main routes for the production of clean bio-fuel. The effect of copper loading on the catalytic performance of different phases of alumina that formed by calcination at two different temperatures was examined for the dehydration of methanol to dimethyl ether (DME). A range of Cu loadings of (1, 2, 4, 6, 10 and 15% Cu wt/wt) on Al 2 O 3 calcined at 350 and 550 °C were prepared and characterized by TGA, XRD, BET, NH 3 -TPD, TEM, H 2 -TPR, SEM, EDX, XPS and DRIFT-Pyridine techniques. The prepared catalysts were used in a fixed bed reactor under reaction conditions in which the temperature ranged from 180-300 °C with weight hourly space velocity (WHSV) = 12.1 h -1 . It was observed that all catalysts calcined at 550 °C (γ-Al 2 O 3 support phase) exhibited higher activity than those calcined at 350 °C (γ-AlOOH), and this is due to the phase support change. Furthermore, the optimum Cu loading was found to be 6% Cu/γ-Al 2 O 3 with this catalyst also showing a high degree of stability under steady state conditions and this is attributed to the enhancement in surface acidity and hydrophobicity. The addition of copper to the support improved the catalyst properties and activity. For all the copper modified catalysts, the optimum catalyst with high degree of activity and stability was 6% copper loaded on gamma alumina. © 2017 The Authors. Journal of Chemical Technology & Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

  10. Catalytic Chemical Vapor Deposition Synthesis of Carbon Aerogels of High-Surface Area and Porosity

    Directory of Open Access Journals (Sweden)

    Armando Peña

    2012-01-01

    Full Text Available In this work carbon aerogels were synthesized by catalytic chemical vapor deposition method (CCVD. Ferrocene were employed as a source both of catalytic material (Fe and of carbon. Gaseous hydrogen and argon were used as reductant and carrier gas, respectively. The products of reaction were collected over alumina. The morphology and textural properties of the soot produced in the reaction chamber were investigated using Scanning Electron Microscopy, High-Resolution Transmission Electron Microscopy, X-ray photoelectron spectroscopy, and N2 physisorption (BET and BHJ methods. After the evaluation of the porous structure of the synthesized products, 780 ± 20 m2/g of SBET and 0.55 ± 0.02 cm3/g of VBJH were found. The presence of iron carbide and the partial oxidation of carbon nanostructures were revealed by XPS.

  11. Synthesis and catalytic properties of Au-Pd nanoflowers.

    Science.gov (United States)

    Xu, Jianguang; Wilson, Adria R; Rathmell, Aaron R; Howe, Jane; Chi, Miaofang; Wiley, Benjamin J

    2011-08-23

    Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (0.8 ± 0.1 nm) shell of Pd. UV-visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core-shell structure to catalyze the Suzuki coupling reaction of iodobenzene to phenylboronic acid was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core-shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures. © 2011 American Chemical Society

  12. Synthesis and Catalytic Properties of Au Pd Nanoflowers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jianguang [Department of Chemistry, Duke University; Wilson, Adria [Duke University; Howe, Jane Y [ORNL; Chi, Miaofang [ORNL; Wiley, Benjamin J [Duke University

    2011-01-01

    Reduction of Pd ions by hydroquinone in the presence of gold nanoparticles and polyvinylpyrrolidone resulted in the formation of nanoflowers with a Au core and Pd petals. Addition of HCl to the synthesis halted the reduction by hydroquinone and enabled the acquisition of snapshots of the nanoflowers at different stages of growth. TEM images of the reaction after 10 s show that the nanoflower morphology resulted from the homogeneous nucleation of Pd clusters in solution and their subsequent attachment to gold seeds coated with a thin (0.8 0.1 nm) shell of Pd. UV visible spectra also indicate Pd clusters formed in the early stages of the reaction and disappeared as the nanoflowers grew. The speed at which this reaction can be halted is useful not only for producing a variety of bimetallic nanostructures with precisely controlled dimensions and morphologies but also for understanding the growth mechanism of these structures. The ability of the AuPd core shell structure to catalyze the Suzuki coupling reaction of iodobenzene to phenylboronic acid was probed and compared against the activity of Pd nanocubes and thin-shelled AuPd core shell nanoparticles. The results of this study suggest that Suzuki coupling was not affected by the surface structure or subsurface composition of the nanoparticles, but instead was primarily catalyzed by molecular Pd species that leached from the nanostructures.

  13. Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

    KAUST Repository

    Feng, Zhenxing

    2016-05-05

    δ oxide thin films, and the physical origin of segregation is discussed in comparison with (La1–ySry)2CoO4±δ/La1–xSrxCo0.2Fe0.8O3−δ. Sr enrichment in many electrocatalysts, such as La1–xSrxMO3−δ (M = Cr, Co, Mn, or Co and Fe) and Sm1–xSrxCoO3, has been probed using alternative techniques, including low energy ion scattering, secondary ion mass spectrometry, and X-ray fluorescence-based methods for depth-dependent, element-specific analysis. We highlight a strong connection between cation segregation and electrocatalytic properties, because cation segregation enhances oxygen transport and surface oxygen exchange kinetics. On the other hand, the formation of cation-enriched secondary phases can lead to the blocking of active sites, inhibiting oxygen exchange. With help from density functional theory, the links between cation migration, catalyst stability, and catalytic activity are provided, and the oxygen p-band center relative to the Fermi level can be identified as an activity descriptor. Based on these findings, we discuss strategies to increase a catalyst’s activity while maintaining stability to design efficient, cost-effective electrocatalysts.

  14. Catalytic Properties and Immobilization Studies of Catalase from Malva sylvestris L.

    OpenAIRE

    Arabaci, G.; Usluoglu, A.

    2013-01-01

    Catalase was partially purified from Malva sylvestris L. and immobilized onto chitosan. Then, its catalytic properties were investigated. (NH4)2SO4 precipitation and dialysis were performed in the extracted enzyme. Further purification was performed with sephadex G-200 column. Kinetic studies of the purified enzyme activity were measured and characterized. The inhibitory effects of KCN, NaN3, CuSO4, and EDTA on M. sylvestris L. catalase activity were observed except NaCl. Furthermore, M. sylv...

  15. Rubisco catalytic properties of wild and domesticated relatives provide scope for improving wheat photosynthesis.

    Science.gov (United States)

    Prins, Anneke; Orr, Douglas J; Andralojc, P John; Reynolds, Matthew P; Carmo-Silva, Elizabete; Parry, Martin A J

    2016-03-01

    Rubisco is a major target for improving crop photosynthesis and yield, yet natural diversity in catalytic properties of this enzyme is poorly understood. Rubisco from 25 genotypes of the Triticeae tribe, including wild relatives of bread wheat (Triticum aestivum), were surveyed to identify superior enzymes for improving photosynthesis in this crop. In vitro Rubisco carboxylation velocity (V c), Michaelis-Menten constants for CO2 (K c) and O2 (K o) and specificity factor (S c/o) were measured at 25 and 35 °C. V c and K c correlated positively, while V c and S c/o were inversely related. Rubisco large subunit genes (rbcL) were sequenced, and predicted corresponding amino acid differences analysed in relation to the corresponding catalytic properties. The effect of replacing native wheat Rubisco with counterparts from closely related species was analysed by modelling the response of photosynthesis to varying CO2 concentrations. The model predicted that two Rubisco enzymes would increase photosynthetic performance at 25 °C while only one of these also increased photosynthesis at 35 °C. Thus, under otherwise identical conditions, catalytic variation in the Rubiscos analysed is predicted to improve photosynthetic rates at physiological CO2 concentrations. Naturally occurring Rubiscos with superior properties amongst the Triticeae tribe can be exploited to improve wheat photosynthesis and crop productivity. © The Author 2016. Published by Oxford University Press on behalf of the Society for Experimental Biology.

  16. Effect of hierarchical porosity and phosphorus modification on the catalytic properties of zeolite Y

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenlin; Zheng, Jinyu; Luo, Yibin; Da, Zhijian, E-mail: dazhijian.ripp@sinopec.com

    2016-09-30

    Highlights: • Hierarchical zeolite Y was prepared by citric acid treatment and alkaline treatment with NaOH&TBPH. • The addition of TBPH during desilication process transferred the bridge bonded OH− to the terminal P−OH group. • Moderate Brønsted acid sites could be created with phosphorus modification. • Zeolite with hierarchical porosity and appropriated acidities favored high conversion of 1,3,5-TIPB. - Abstract: The zeolite Y is considered as a leading catalyst for FCC industry. The acidity and porosity modification play important roles in determining the final catalytic properties of zeolite Y. The alkaline treatment of zeolite Y by dealumination and alkaline treatment with NaOH and NaOH&TBPH was investigated. The zeolites were characterized by X-ray diffraction, low-temperature adsorption of nitrogen, transmission electron microscope, NMR, NH{sub 3}-TPD and IR study of acidity. Accordingly, the hierarchical porosity and acidity property were discussed systematically. Finally, the catalytic performance of the zeolites Y was evaluated in the cracking of 1,3,5-TIPB. It was found that desilication with NaOH&TBPH ensured the more uniform intracrystalline mesoporosity with higher microporosity, while preserving higher B/L ratio and moderate Brønsted acidities resulting in catalysts with the most appropriated acidity and then with better catalytic performance.

  17. ALD Functionalized Nanoporous Gold: Thermal Stability, Mechanical Properties, and Catalytic Activity

    Energy Technology Data Exchange (ETDEWEB)

    Biener, M M; Biener, J; Wichmann, A; Wittstock, A; Baumann, T F; Baeumer, M; Hamza, A V

    2011-03-24

    Nanoporous metals have many technologically promising applications but their tendency to coarsen limits their long-term stability and excludes high temperature applications. Here, we demonstrate that atomic layer deposition (ALD) can be used to stabilize and functionalize nanoporous metals. Specifically, we studied the effect of nanometer-thick alumina and titania ALD films on thermal stability, mechanical properties, and catalytic activity of nanoporous gold (np-Au). Our results demonstrate that even only one-nm-thick oxide films can stabilize the nanoscale morphology of np-Au up to 1000 C, while simultaneously making the material stronger and stiffer. The catalytic activity of np-Au can be drastically increased by TiO{sub 2} ALD coatings. Our results open the door to high temperature sensor, actuator, and catalysis applications and functionalized electrodes for energy storage and harvesting applications.

  18. Nucleoside Phosphate-Conjugates Come of Age: Catalytic Transformation, Polymerase Recognition and Antiviral Properties.

    Science.gov (United States)

    Groaz, Elisabetta; Herdewijn, Piet

    2015-01-01

    Over the past few decades, different types of nucleoside phosphate-conjugates have been under extensive investigation due to their favorable molecular lability with interesting catalytic hydrolysis mechanisms, recognition as polymerase substrates, and especially for their development as antiviral/ anticancer protide therapeutics. The antiviral conjugates such as nucleoside phosphoesters and phosphoramidates that were discovered and developed in the initial years have been well reviewed by the pioneers in the field. In the present review, we will discuss the basic chemical and biological principles behind consideration of some representative structural classes. We will also summarize the chemical and biological properties of some of the more recent analogues that were synthesized and evaluated in our laboratory and by others. This includes new principles for their application as direct substrates of polymerases, nucleobasedependent catalytic and antiviral activity, and a plausible 'prodrug of a prodrug' strategy for tissue/organ-specific targeted drug delivery.

  19. Surface treatments for improved performance and properties

    International Nuclear Information System (INIS)

    Burke, J.J.; Weiss, V.

    1982-01-01

    This book considers the characteristics, structures, and properties of surfaces. Divides the subject into the physical and chemical characteristics of metallic and nonmetallic surfaces, emerging surface modification techniques, surface structure and mechanical properties, and relationships between properties and processing for nonmetallic materials. Explores various methods of surface modification that can produce improved materials properties. Discusses such wide-ranging topics as the characterization of surfaces, reaction kinetics, the chemistry of gaseous hydrogen embrittlement, the effect of surface modification on corrosion, protection against high-temperature corrosion of surfaces, the effect of high temperatures developed during plating on the microstructure and microhardness of steel, near-surface modifications that will improve the crack-tolerant behavior of high-strength alloys, fretting corrosion and fretting fatigue, surface treatments for enhanced bonding between inorganic surfaces and polymers, and the relationships between surface structure, ceramic processing, and mechanical properties. Recommended for workers and researchers in materials science, surface science, and mechanical engineering. Constitutes the proceedings of the Twenty-sixth Sagamore Army Materials Research Conference (entitled ''Surface Treatments for Improved Performance and Properties'') held in New York in 1979

  20. LASER INDUCED SELECTIVE ACTIVATION UTILIZING AUTO-CATALYTIC ELECTROLESS PLATING ON POLYMER SURFACE

    DEFF Research Database (Denmark)

    Zhang, Yang; Nielsen, Jakob Skov; Tang, Peter Torben

    2009-01-01

    . Characterization of the deposited copper layer was used to select and improve laser parameters. Several types of polymers with different melting points were used as substrate. Using the above mentioned laser treatment, standard grades of thermoplastic materials such as ABS, SAN, PE, PC and others have been......This paper presents a new method for selective micro metallization of polymers induced by laser. An Nd: YAG laser was employed to draw patterns on polymer surfaces using a special set-up. After subsequent activation and auto-catalytic electroless plating, copper only deposited on the laser tracks....... Induced by the laser, porous and rough structures are formed on the surface, which favours the palladium attachment during the activation step prior to the metallization. Laser focus detection, scanning electron microscopy (SEM) and other instruments were used to analyze the topography of the laser track...

  1. Electrical, thermal, catalytic and magnetic properties of nano-structured materials and their applications

    Science.gov (United States)

    Liu, Zuwei

    properties are briefly reviewed in Chapter One, including the concepts of ferro-magnetism, plasmonics, photocatalysis, thermal emission, and Raman spectra of carbon nanotubes. In Chapter Two, we focus on the magnetic properties of ferro-magnetic cobalt nanowires with high crystalline quality synthesized via a low voltage electro-deposition method. The crystal structure of these Co nanowires is characterized by high resolution transmission electron microscopy and X-ray diffraction. The magnetic properties of individual nanowires and nanowire arrays are investigated by magnetic force microscope (MFM) and superconducting quantum interference device (SQUID) measurements. A theoretical model is developed to explain these experimental observations. In Chapter Three, we exploit the strong plasmon resonance of gold nanoparticles. We also demonstrate a new method for patterning SERS (surface enhanced Raman spectroscopy) aggregates of gold nanoparticles by using a focused laser beam to optically trap the nanoparticles in a water suspension. Raman spectroscopy is used to estimate the temperature in the laser spot during the in-situ aggregation, by measuring the Raman peak of the hydroxyl bond of water. In Chapter Four, we demonstrate plasmonic enhancement of photocatalytic water splitting under visible illumination by integrating strongly plasmonic Au nanoparticles with strongly catalytic TiO2. Electromagnetic simulations indicate that the near-field optical enhancement increases the electron-hole pair generation rate at the surface of the TiO2, thus increasing the amount of photo-generated charge contributing to catalysis. Our results suggest that enhancement factors many times larger than this are possible if this mechanism can be optimized. In Chapter Five, we study the Raman spectra and thermal emission spectra of individual suspended carbon nanotubes induced by electrical heating. Semiconducting and metallic devices exhibit different spectra, based on their distinctive band

  2. Ti(IV)-doped γ-Fe2O3 nanoparticles possessing unique textural and chemical properties: Enhanced suppression of phase transformation and promising catalytic activity

    Science.gov (United States)

    Khaleel, Abbas; Parvin, Maliha; AlTabaji, Moahmmed; Al-zamly, Ahmed

    2018-03-01

    Nanostructured Ti(IV)-doped γ-Fe2O3 was prepared via a sol-gel method, and the effect of doping on the phase stability, textural properties, and catalytic activity was investigated. Well-dispersed 10% Ti in γ-Fe2O3 structure was found to significantly suppress its conversion to α-Fe2O3. While undoped product contained both phases, γ- and α-Fe2O3, at 400 °C, its doped counterpart contained γ-Fe2O3 as the sole phase at temperatures as high as 500 °C and partial conversion started only at 550 °C. Doping also resulted in modified textural properties, including smaller particles, larger surface areas, and higher mesoporosity, as well as enhanced reducibility and catalytic activity.

  3. Effect of carrier nature and Pt concentration on catalytic properties of deposited catalysts with respect to reaction of homomolecular isotopic exchange of hydrogen

    International Nuclear Information System (INIS)

    Korabel'nikova, L.M.; Vasilevich, A.A.

    1987-01-01

    Effect of carrier (Al 2 O 3 and SiO 2 ) nature and Pt concentration in deposited catalysts with respect to reaction of homomolecular isotopic exchange (HMIE) of hydrogen at -196 deg C and 66,6 Pa (0.5 mm of mercury) is studied. Dependence of specific catalytic activity of Pt/Al 2 O 3 and Pt/SiO 2 on platinum concentration is shown. It is found that large platinum crystallites in Pt/SiO 2 system have higher activity than small ones. The carrier effect on catalytic and surface properties of deposited platinum is detected. The most noticeably the carrier effect is manifested in the ranges of small degrees of carrier surface filling with metal. Optimum platinum concentrations in Pt/Al 2 O 3 and Pt/SiO 2 catalysts for hyrogen HMIE reaction are determined

  4. Cage-bell Pt-Pd nanostructures with enhanced catalytic properties and superior methanol tolerance for oxygen reduction reaction

    OpenAIRE

    Dong Chen; Feng Ye; Hui Liu; Jun Yang

    2016-01-01

    Precisely tailoring the structure and fully making use of the components of nanoparticles are effective to enhance their catalytic performance for a given reaction. We herein demonstrate the design of cage-bell structured Pt-Pd nanoparticles, where a Pd shell is deliberately selected to enhance the catalytic property and methanol tolerance of Pt for oxygen reduction reaction. This strategy starts with the synthesis of core-shell Pt@Ag nanoparticles, followed by galvanic replacement reaction b...

  5. Effects of acido-basic support properties on the catalytic hydrogenation of acetylene on gold nano-particles

    Science.gov (United States)

    Manda, Abdullah Ahmed

    Metallic gold nanoparticles supported on gamma-Al2O 3 and magnesia-alumina mixed oxide, with different magnesia content have been prepared by sol-gel method and characterized by different techniques (inductive coupled plasma-mass spectroscopy (ICP-MS), XRD, BET surface area analysis, transmission electron microscopy (TEM), CO2 and NH 3 temperature programmed desorption (TPD), H2 temperature programmed reduction (TPR) and FTIR of adsorbed CO2). Such systems were found to produce catalysts with controllable acidity, varying from catalyst possessing large density of acidic and low density of basic sites, others with acidic and basic sites of equal strength and density, and others with large basic and low acid sites densities, respectively. The catalytic assessment of the generated acidity was carried out using 2-propanol decomposition as a test reaction. The results obtained indicate that the presence of magnesia and reduced gold nanopartilces has imparted the catalysts, 1%Au/4%Mg-Al 2O3 and 1%Au/8%Mg-Al2O3, with significant base-catalytic properties. Acetylene hydrogenation and formation of coke deposits were investigated on a gold catalyst supported on gamma-Al2O3 and gold supported on alumina-magnisia mixed oxide with different gold content; 1%Au/gamma-Al 2O3, 1%Au/15%Mg-Al2O3, 2%Au/15%Mg-Al 2O3 and 4%Au/15%Mg-Al2O3. The effect of the H2/C2H2 ratio was studied over a range of values. The catalytic activity and selectivity towards ethylene and other products were investigated at different reaction temperatures. Acetylene hydrogenation was investigated in the presence and absence of ethylene in stream. It is investigated that the adsorption of the triple bond is preferred over the double bond and during selective catalytic (SCR) of C2H2 the two hydrocarbons do not compete for the same adsorption sites. The deactivation of catalysts was studied by temperature programmed oxidation (TPO). Higher content of coke over 1%Au/Al2O3 catalyst was investigated in contrast to

  6. Preparation of mesoporous alumina films by anodization: Effect of pretreatments on the aluminum surface and MTBE catalytic oxidation

    International Nuclear Information System (INIS)

    Vazquez, A.L.; Carrera, R.; Arce, E.; Castillo, N.; Castillo, S.; Moran-Pineda, M.

    2009-01-01

    Mesoporous materials are both scientifically and technologically important because of the presence of voids of controllable dimensions at atomic, molecular, and nanometric scales. Over the last decade, there has been both an increasing interest and research effort in the synthesis and characterization of these types of materials. The purposes of this work are to study the physical and chemical changes in the properties of mesoporous alumina films produced by anodization in sulphuric acid by different pretreatments on the aluminium surface such as mechanical polishing [MP] and electropolishing [EP]; and to compare their properties such as morphology, structure and catalytic activity with those present in commercial alumina. The morphologic and physical characterizations of the alumina film samples were carried out by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The chemical evaluations were performed by the oxidation of methyl-tert-butyl-ether (MTBE) at 400 deg. C under O 2 /He oxidizing conditions (Praxair, 2.0% O 2 /He balance). According to the results, the samples that presented higher activities than those in Al 2 O 3 /Al [MP] and commercial alumina in the MTBE oxidation (69%), were those prepared by Al 2 O 3 /Al [EP]. The average mesoporous diameter was 17 nm, and the morphological shape was equiaxial; thus, that pore distribution was the smallest of all with a homogeneous distribution.

  7. Preparation of mesoporous alumina films by anodization: Effect of pretreatments on the aluminum surface and MTBE catalytic oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Vazquez, A.L., E-mail: avazquezd@ipn.m [Departamento de Ingenieria Metalurgica, ESIQIE-IPN, AP 75-876, Mexico, D.F. (Mexico); Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, C.P. 07730, Mexico, D.F. (Mexico); Carrera, R. [Departamento de Ingenieria Metalurgica, ESIQIE-IPN, AP 75-876, Mexico, D.F. (Mexico); Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, C.P. 07730, Mexico, D.F. (Mexico); Arce, E. [Departamento de Ingenieria Metalurgica, ESIQIE-IPN, AP 75-876, Mexico, D.F. (Mexico); Castillo, N. [CINVESTAV, Departamento de Fisica. Av. IPN 2508, 07360, Mexico, D.F (Mexico); Castillo, S. [Departamento de Ingenieria Metalurgica, ESIQIE-IPN, AP 75-876, Mexico, D.F. (Mexico); Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, C.P. 07730, Mexico, D.F. (Mexico); Moran-Pineda, M. [Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Lazaro Cardenas 152, C.P. 07730, Mexico, D.F. (Mexico)

    2009-08-26

    Mesoporous materials are both scientifically and technologically important because of the presence of voids of controllable dimensions at atomic, molecular, and nanometric scales. Over the last decade, there has been both an increasing interest and research effort in the synthesis and characterization of these types of materials. The purposes of this work are to study the physical and chemical changes in the properties of mesoporous alumina films produced by anodization in sulphuric acid by different pretreatments on the aluminium surface such as mechanical polishing [MP] and electropolishing [EP]; and to compare their properties such as morphology, structure and catalytic activity with those present in commercial alumina. The morphologic and physical characterizations of the alumina film samples were carried out by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The chemical evaluations were performed by the oxidation of methyl-tert-butyl-ether (MTBE) at 400 deg. C under O{sub 2}/He oxidizing conditions (Praxair, 2.0% O{sub 2}/He balance). According to the results, the samples that presented higher activities than those in Al{sub 2}O{sub 3}/Al [MP] and commercial alumina in the MTBE oxidation (69%), were those prepared by Al{sub 2}O{sub 3}/Al [EP]. The average mesoporous diameter was 17 nm, and the morphological shape was equiaxial; thus, that pore distribution was the smallest of all with a homogeneous distribution.

  8. XPS-UPS, ISS characterization studies and the effect of Pt and K addition on the catalytic properties of MoO{sub 2-x}(OH){sub y} deposited on TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Al-Kandari, H. [Public Authority of Applied Education and Training (Kuwait); Mohamed, A.M.; Al-Kharafi, F. [Kuwait University, Department of Chemistry, P.O. Box 5969, Safat 13060 (Kuwait); Katrib, A., E-mail: ali.katrib@ku.edu.kw [Kuwait University, Department of Chemistry, P.O. Box 5969, Safat 13060 (Kuwait)

    2011-11-15

    Highlights: {yields} Surface electronic structure-catalytic activity correlation is presented in this research work. {yields} In situ characterization by XPS-UPS and ISS techniques were employed at the same experimental conditions applied for catalytic reactions. {yields} Catalytic reactions of Mo deposited on titanium oxide for the isomerization and hydrogenation reactions using 1-hexene and n-hexane were studied. {yields} The bifunctional properties of the molybdenum dioxide phase were modified by the addition of potassium. - Abstract: Characterization by XPS-UPS, ISS surface techniques of MoO{sub 3}/TiO{sub 2} catalysts before and after addition of Pt (PtMo) 2.5% by weight of MoO{sub 3} and potassium (KMo) enabled to identify different chemical species present on the outermost surface layer at different reduction temperatures. Catalytic activities of these systems using 1-hexene and n-hexane reactants were studied. Correlation between catalytic activity and surface electronic structure enabled us to identify the chemical species, active site(s), responsible for specific catalytic reaction(s).

  9. XPS-UPS, ISS characterization studies and the effect of Pt and K addition on the catalytic properties of MoO2-x(OH)y deposited on TiO2

    International Nuclear Information System (INIS)

    Al-Kandari, H.; Mohamed, A.M.; Al-Kharafi, F.; Katrib, A.

    2011-01-01

    Highlights: → Surface electronic structure-catalytic activity correlation is presented in this research work. → In situ characterization by XPS-UPS and ISS techniques were employed at the same experimental conditions applied for catalytic reactions. → Catalytic reactions of Mo deposited on titanium oxide for the isomerization and hydrogenation reactions using 1-hexene and n-hexane were studied. → The bifunctional properties of the molybdenum dioxide phase were modified by the addition of potassium. - Abstract: Characterization by XPS-UPS, ISS surface techniques of MoO 3 /TiO 2 catalysts before and after addition of Pt (PtMo) 2.5% by weight of MoO 3 and potassium (KMo) enabled to identify different chemical species present on the outermost surface layer at different reduction temperatures. Catalytic activities of these systems using 1-hexene and n-hexane reactants were studied. Correlation between catalytic activity and surface electronic structure enabled us to identify the chemical species, active site(s), responsible for specific catalytic reaction(s).

  10. Extremely superhydrophobic surfaces with micro- and nanostructures fabricated by copper catalytic etching.

    Science.gov (United States)

    Lee, Jung-Pil; Choi, Sinho; Park, Soojin

    2011-01-18

    We demonstrate a simple method for the fabrication of rough silicon surfaces with micro- and nanostructures, which exhibited superhydrophobic behaviors. Hierarchically rough silicon surfaces were prepared by copper (Cu)-assisted chemical etching process where Cu nanoparticles having particle size of 10-30 nm were deposited on silicon surface, depending on the period of time of electroless Cu plating. Surface roughness was controlled by both the size of Cu nanoparticles and etching conditions. As-synthesized rough silicon surfaces showed water contact angles ranging from 93° to 149°. Moreover, the hierarchically rough silicon surfaces were chemically modified by spin-coating of a thin layer of Teflon precursor with low surface energy. And thus it exhibited nonsticky and enhanced hydrophobic properties with extremely high contact angle of nearly 180°.

  11. Surface composition of silver nanocubes and their influence on morphological stabilization and catalytic performance in ethylene epoxidation

    KAUST Repository

    Sangaru, Shiv

    2015-12-04

    Silver nanocubes with exposed (100) facets are reported to have improved selectivity with respect to their spherical counterparts for ethylene epoxidation. In the present study, we observe that the surface composition of the silver nanocubes have also a critical impact on activity. Detailed investigation of the surface composition of silver nanocubes has been carried out using HRTEM, SEM, EDS, EELS and EFTEM. Surfaces of silver nanocubes are “passivated” by chloride and its removal is essential to achieve any catalytic activity. However, the surface chloride is apparently essential for stabilizing the cubic morphology of the particles. Attempts were made to understand the competing effects of the surface species for retaining the morphology of the nanocubes and on their catalytic activity.

  12. Temperature-dependent oxygen release, intercalation behaviour and catalytic properties of V2O5.xNb2O5 compounds

    International Nuclear Information System (INIS)

    Boerrnert, Carina; Zosel, Jens; Polte, Annette; Wenzel, Roswitha; Guth, Ulrich; Langbein, Hubert

    2011-01-01

    Graphical abstract: Temperature dependent oxygen loss and uptake of V 2,38 Nb 10,7 O 32,7 in N 2 (p(O 2 ) = 4 x 10 -5 bar) and IR spectra of gas mixtures after the reactor with V 2,38 Nb 10,7 O 32,7 (A = 16.1 m 2 /g) and propane. Highlights: → V 2 O 5 .xNb 2 O 5 complex oxide compounds as catalysts. → The (V, Nb) 2 O 5 phases are able to a reversible release and uptake of oxygen without a structural variation. → Metastable (V, Nb) 2 O 5 phases are able to catalyse the oxidative dehydrogenation of propane and propene. → Thermodynamically stable VNb 9 O 25 phase shows no measurable catalytic activity. -- Abstract: In order to investigate the catalytic properties, V 2,38 Nb 10,7 O 32,7 , VNb 9 O 25 and solid solutions of V 2 O 5 in TT-Nb 2 O 5 were prepared by thermal decomposition of freeze-dried oxalate precursors. The samples were characterised by X-ray diffraction and surface area determination. The crystalline samples are capable of the intercalation of sodium and lithium ions from solution. Above a temperature of about 500 o C, in dependence on the oxygen partial pressure a reversible release and uptake of oxygen without a structural variation takes place. The catalytic properties have been evaluated for the oxidative dehydrogenation (ODH) of propane and propene. There are only small differences in the catalytic activity of the different crystalline samples. Because of the relative high starting temperature, a selective catalytic oxidation of propane to propene is hardly observed.

  13. Surface spintronics enhanced photo-catalytic hydrogen evolution: Mechanisms, strategies, challenges and future

    Science.gov (United States)

    Zhang, Wenyan; Gao, Wei; Zhang, Xuqiang; Li, Zhen; Lu, Gongxuan

    2018-03-01

    Hydrogen is a green energy carrier with high enthalpy and zero environmental pollution emission characteristics. Photocatalytic hydrogen evolution (HER) is a sustainable and promising way to generate hydrogen. Despite of great achievements in photocatalytic HER research, its efficiency is still limited due to undesirable electron transfer loss, high HER over-potential and low stability of some photocatalysts, which lead to their unsatisfied performance in HER and anti-photocorrosion properties. In recent years, many spintronics works have shown their enhancing effects on photo-catalytic HER. For example, it was reported that spin polarized photo-electrons could result in higher photocurrents and HER turn-over frequency (up to 200%) in photocatalytic system. Two strategies have been developed for electron spin polarizing, which resort to heavy atom effect and magnetic induction respectively. Both theoretical and experimental studies show that controlling spin state of OHrad radicals in photocatalytic reaction can not only decrease OER over-potential (even to 0 eV) of water splitting, but improve stability and charge lifetime of photocatalysts. A convenient strategy have been developed for aligning spin state of OHrad by utilizing chiral molecules to spin filter photo-electrons. By chiral-induced spin filtering, electron polarization can approach to 74%, which is significantly larger than some traditional transition metal devices. Those achievements demonstrate bright future of spintronics in enhancing photocatalytic HER, nevertheless, there is little work systematically reviewing and analysis this topic. This review focuses on recent achievements of spintronics in photocatalytic HER study, and systematically summarizes the related mechanisms and important strategies proposed. Besides, the challenges and developing trends of spintronics enhanced photo-catalytic HER research are discussed, expecting to comprehend and explore such interdisciplinary research in

  14. Effect of the ageing atmosphere on catalytic activity and textural properties of Pd/Rh exhaust gas catalysts studied by XRD

    Energy Technology Data Exchange (ETDEWEB)

    Hietikko, M.; Pursiainen, J.; Laitinen, R.S. [Department of Chemistry, University of Oulu, P.O. Box 3000, FIN-90014 University of Oulu (Finland); Lassi, U. [Central Ostrobothnia Polytechnic, Department of Technology, Talonpojankatu 2, FIN-67100 Kokkola (Finland); Kallinen, K.; Savimaeki, A.; Haerkoenen, M. [Ecocat Oy, Catalyst Research, P.O. Box 171, FIN-90101 Oulu (Finland); Keiski, R.L. [Department of Process and Environmental Engineering, University of Oulu, P.O. Box 4300, FIN-90014 University of Oulu (Finland)

    2004-12-08

    Effect of thermal, engine bench, and vehicle ageings on catalytic activity and support properties was evaluated mainly by XRD on a real catalytic system. The solid-solid phase transitions in the bulk material are of particular importance to catalyst behaviour after ageings. It was observed that the ageing atmosphere either accelerated or inhibited the phase transitions. The formation of aluminates was observed after ageings in inert and reducing atmospheres as well as after engine and vehicle ageings. The formation of aluminates is associated with the loss of specific surface areas that remained higher after reducing and inert ageings. The formation of cerium and lanthanum aluminates prevents the formation of low surface area {alpha}-Al{sub 2}O{sub 3} that is responsible for the decrease in the total surface area. Catalytic activities also remained higher after reducing and inert ageings than after oxidizing ageing. Furthermore, laboratory ageing in reducing atmosphere seems to correlate best with the real vehicle ageing from the textural point of view.

  15. Surface active monomers synthesis, properties, and application

    CERN Document Server

    Borzenkov, Mykola

    2014-01-01

    This brief includes information on the background?of and development of synthesis of various types of surface active monomers. The authors explain the importance of utilization of surface active monomers for creation of surface active polymers? and the various biomedical applications of such compounds . This brief introduces techniques for the synthesis of novel types of surface active monomers, their colloidal and polymerizable properties and application for needs of medicine and biology.

  16. New URJC-1 Material with Remarkable Stability and Acid-Base Catalytic Properties

    Directory of Open Access Journals (Sweden)

    Pedro Leo

    2016-02-01

    Full Text Available Emerging new metal-organic structures with tunable physicochemical properties is an exciting research field for diverse applications. In this work, a novel metal-organic framework Cu(HIT(DMF0.5, named URJC-1, with a three-dimensional non-interpenetrated utp topological network, has been synthesized. This material exhibits a microporous structure with unsaturated copper centers and imidazole–tetrazole linkages that provide accessible Lewis acid/base sites. These features make URJC-1 an exceptional candidate for catalytic application in acid and base reactions of interest in fine chemistry. The URJC-1 material also displays a noteworthy thermal and chemical stability in different organic solvents of different polarity and boiling water. Its catalytic activity was evaluated in acid-catalyzed Friedel–Crafts acylation of anisole with acetyl chloride and base-catalyzed Knoevenagel condensation of benzaldehyde with malononitrile. In both cases, URJC-1 material showed very good performance, better than other metal organic frameworks and conventional catalysts. In addition, a remarkable structural stability was proven after several consecutive reaction cycles.

  17. New insights into the active surface species of silver alumina catalysts in the selective catalytic reduction of NO

    NARCIS (Netherlands)

    Korhonen, S.T.|info:eu-repo/dai/nl/326090606; Beale, A.M.|info:eu-repo/dai/nl/325802068; Newton, M.A.; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2011-01-01

    The performance of silver alumina catalysts and silver aluminate was studied in the selective catalytic reduction (SCR) of NO by propene. The use of boehmite during the impregnation step ensured a strong interaction between the silver species and the alumina surface in the final calcined catalyst.

  18. Studies on the Catalytic Properties of Partially Purified Alkaline Proteases from Some Selected Microorganisms

    Directory of Open Access Journals (Sweden)

    Titilayo Olufunke Femi-Ola

    2012-09-01

    inhibited by ethylene diamine tetra acetic acid (EDTA, while a slight inhibition was observed with K+, Na+ and Fe2+.Conclusion, significance and impact of study: The outcome of this present study indicated useful physico-chemical properties of proteolytic enzymes that could be of biotechnological use in enhancing enzyme catalytic efficiency.

  19. Oxygen transfer materials with catalytic properties for biomass gasification[Dissertation 17302

    Energy Technology Data Exchange (ETDEWEB)

    Pecho, J.

    2007-06-15

    By application of olivine as bed material in a biomass gasifier such as the FICFB type (Fast Internal Circulating Fluidized Bed) in Guessing, Austria, an improvement of the gasification process was observed. Reduction of tars was measured and oxygen increase in the process was calculated. However, it took a while before these properties became clear. Aim of the project was to elucidate the mechanism with which olivine influences the system and to find a new material with improved properties for the gasification process. There were some factors which had be taken into account, e.g., amount of free lattice oxygen, reaction enthalpy, selectivity, mechanical and chemical stability, costs, desulphurization and decarbonisation. Several studies have shown that natural olivine ((Fe{sub x}Mg{sub 1-x}){sub 2}SiO{sub 4}) lowers tar formation in fluidized bed gasification of biomass. According to most authors, the phenomenon is related to the presence of iron oxide (Fe{sub 2}O{sub 3}) which is, e.g., formed during the calcination of olivine in air. To elucidate the role of the iron oxide, synthetic olivine with a molar ratio of Fe:Mg equal to unity has been exposed to gases that contained either wet methane or wet toluene as the only carbon source in a thermobalance interfaced to on-line gas analysis. The results provide strong evidence that the conversion of the carbon species is dominated by the stoichiometric reaction of binary iron oxide with hydrocarbons in the beginning of the reaction while catalytic reactions such as steam reforming contribute little to the observed tar reduction. This reaction path straightforwardly explains the influence of the olivine's origin or the pre-treatment on its chemical reactivity as it was reported by the various authors. To improve the catalytic properties and oxygen capacity of bed materials, we put our focus on perovskite type oxides La{sub x}Sr{sub 1-x}Cr{sub y}Mn{sub 1-y}O{sub 3} and Ba{sub 0.3}Sr{sub 0.7}Fe{sub 0.9}Mn{sub 0.1}O

  20. Surface composition and surface properties of water hyacinth ...

    African Journals Online (AJOL)

    The surface composition and surface properties of water hyacinth (Eichhornia crassipes) root biomass were studied before and after extraction with dilute nitric acid and toluene/ethanol (2/1, v/v) followed by ethanol, using Fourier Transform Infra-red (FT-IR) spectroscopy, thermogravimetric analysis, x-ray diffraction, ...

  1. The unusual properties of beryllium surfaces

    International Nuclear Information System (INIS)

    Stumpf, R.; Hannon, J.B.

    1994-01-01

    Be is a ''marginal metal.'' The stable phase, hcp-Be, has a low Fermi-level density of states and very anisotropic structural and elastic properties, similar to a semiconductor's. At the Be(0001) surface, surface states drastically increase the Fermi-level density of states. The different nature of bonding in bulk-Be and at the Be(0001) surface explains the large outward relaxation. The presence of surface states causes large surface core-level shifts by inducing a higher electrostatic potential in the surface layers and by improving the screening at the surface. The authors experimental and theoretical investigations of atomic vibrations at the Be(0001) surface demonstrate clearly that Be screening of atomic motion by the surface states makes the surface phonon dispersion fundamentally different from that of the bulk. Properties of Be(0001) are so different from those of the bulk that the surface can be considered a new ''phase'' of beryllium with unique electronic and structural characteristics. For comparison they also study Be(11 bar 20), a very open surface without important surface states. Be(11 bar 20) is the only clean s-p metal surface known to reconstruct (1 x 3 missing row reconstruction)

  2. Electrochemical preparation of iron cuboid nanoparticles and their catalytic properties for nitrite reduction

    Energy Technology Data Exchange (ETDEWEB)

    Chen Yanxin; Chen Shengpei; Chen Qingsong; Zhou Zhiyou [State Key Lab of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China); Sun Shigang [State Key Lab of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China)], E-mail: sgsun@xmu.edu.cn

    2008-10-01

    Iron cuboid nanoparticles supported on glassy carbon (denoted nm-Fe/GC) were prepared by electrochemical deposition under cyclic voltammetric (CV) conditions. The structure and composition of the Fe nanomaterials were characterized by scanning electron microscopy (SEM), selected area electron diffraction (SAED), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDX). The results demonstrated that the Fe cuboid nanoparticles are dispersed discretely on GC substrate with an average size ca. 171 nm, and confirmed that the electrochemical synthesized nanocubes are single crystals of pure Fe. The catalytic properties of the Fe cuboid nanoparticles towards nitrite electroreduction were investigated, and enhanced electrocatalytic activity of the Fe nanocubes has been determined. In comparison with the data obtained on a bulk-Fe electrode, the onset potential of nitrite reduction on nm-Fe/GC is positively sifted by 100 mV, and the steady reduction current density is enhanced about 2.4-3.2 times.

  3. Electrochemical preparation of iron cuboid nanoparticles and their catalytic properties for nitrite reduction

    International Nuclear Information System (INIS)

    Chen Yanxin; Chen Shengpei; Chen Qingsong; Zhou Zhiyou; Sun Shigang

    2008-01-01

    Iron cuboid nanoparticles supported on glassy carbon (denoted nm-Fe/GC) were prepared by electrochemical deposition under cyclic voltammetric (CV) conditions. The structure and composition of the Fe nanomaterials were characterized by scanning electron microscopy (SEM), selected area electron diffraction (SAED), X-ray diffraction (XRD) and energy dispersive X-ray analysis (EDX). The results demonstrated that the Fe cuboid nanoparticles are dispersed discretely on GC substrate with an average size ca. 171 nm, and confirmed that the electrochemical synthesized nanocubes are single crystals of pure Fe. The catalytic properties of the Fe cuboid nanoparticles towards nitrite electroreduction were investigated, and enhanced electrocatalytic activity of the Fe nanocubes has been determined. In comparison with the data obtained on a bulk-Fe electrode, the onset potential of nitrite reduction on nm-Fe/GC is positively sifted by 100 mV, and the steady reduction current density is enhanced about 2.4-3.2 times

  4. Defined wetting properties of optical surfaces

    Science.gov (United States)

    Felde, Nadja; Coriand, Luisa; Schröder, Sven; Duparré, Angela; Tünnermann, Andreas

    2017-10-01

    Optical surfaces equipped with specific functional properties have attracted increasing importance over the last decades. In the light of cost reduction, hydrophobic self-cleaning behavior is aspired. On the other side, hydrophilic properties are interesting due to their anti-fog effect. It has become well known that such wetting states are significantly affected by the surface morphology. For optical surfaces, however, this fact poses a problem, as surface roughness can induce light scattering. The generation of optical surfaces with specific wetting properties, hence, requires a profound understanding of the relation between the wetting and the structural surface properties. Thus, our work concentrates on a reliable acquisition of roughness data over a wide spatial frequency range as well as on the comprehensive description of the wetting states, which is needed for the establishment of such correlations. We will present our advanced wetting analysis for nanorough optical surfaces, extended by a vibration-based procedure, which is mainly for understanding and tailoring the wetting behavior of various solid-liquid systems in research and industry. Utilizing the relationships between surface roughness and wetting, it will be demonstrated how different wetting states for hydrophobicity and hydrophilicity can be realized on optical surfaces with minimized scatter losses.

  5. Characterisation and catalytic properties of Ni, Co, Ce and Ru nanoparticles in mesoporous carbon spheres

    Energy Technology Data Exchange (ETDEWEB)

    Barros, Francisco A. A. [Universidade Federal do Ceara, Departamento de Quimica Analitica e Fisico-Quimica, Langmuir Lab de Adsorcao e Catalise (Brazil); Castro, Antonio J. R.; Filho, Josue M. [Universidade Federal do Ceara, Departamento de Fisica (Brazil); Viana, Bartolomeu C. [Universidade Federal do Piaui, Departamento de Fisica (Brazil); Campos, Adriana [CETENE Av. Prof. Luiz Freire, Cidade Universitaria (Brazil); Oliveira, Alcineia C., E-mail: alcineia@ufc.br [Universidade Federal do Ceara, Departamento de Quimica Analitica e Fisico-Quimica, Langmuir Lab de Adsorcao e Catalise (Brazil)

    2012-09-15

    Ni, Co, Ce and Ru nanoparticles were inserted into templated carbon using a nanocasting technique and evaluated for the dehydration of glycerol. NiO and CeO{sub 2} preferentially yielded 5 nm uniformly sized particles that filled the mesoporous carbon via a geometric confinement effect. Ru generated Ru{sup o} and RuO{sub 2} nanoparticles that selectively migrated towards the carbon surface and did not undergo sintering, whereas Co nanoparticles containing CoO and Co{sub 3}O{sub 4} showed the opposite behaviour. The stabilising effects of the Ce and Ru nanoparticles on the carbon matrix effectively prevented the aggregation of small particles, resulting in superior catalytic performance in glycerol dehydration.

  6. Metrology and properties of engineering surfaces

    CERN Document Server

    Greenwood, J; Chetwynd, D

    2001-01-01

    Metrology and Properties of Engineering Surfaces provides in a single volume a comprehensive and authoritative treatment of the crucial topics involved in the metrology and properties of engineering surfaces. The subject matter is a central issue in manufacturing technology, since the quality and reliability of manufactured components depend greatly upon the selection and qualities of the appropriate materials as ascertained through measurement. The book can in broad terms be split into two parts; the first deals with the metrology of engineering surfaces and covers the important issues relating to the measurement and characterization of surfaces in both two and three dimensions. This covers topics such as filtering, power spectral densities, autocorrelation functions and the use of Fractals in topography. A significant proportion is dedicated to the calibration of scanning probe microscopes using the latest techniques. The remainder of the book deals with the properties of engineering surfaces and covers a w...

  7. Controlled synthesis and enhanced catalytic and gas-sensing properties of tin dioxide nanoparticles with exposed high-energy facets.

    Science.gov (United States)

    Wang, Xue; Han, Xiguang; Xie, Shuifen; Kuang, Qin; Jiang, Yaqi; Zhang, Subing; Mu, Xiaoliang; Chen, Guangxu; Xie, Zhaoxiong; Zheng, Lansun

    2012-02-20

    A morphology evolution of SnO(2) nanoparticles from low-energy facets (i.e., {101} and {110}) to high-energy facets (i.e., {111}) was achieved in a basic environment. In the proposed synthetic method, octahedral SnO(2) nanoparticles enclosed by high-energy {111} facets were successfully synthesized for the first time, and tetramethylammonium hydroxide was found to be crucial for the control of exposed facets. Furthermore, our experiments demonstrated that the SnO(2) nanoparticles with exposed high-energy facets, such as {221} or {111}, exhibited enhanced catalytic activity for the oxidation of CO and enhanced gas-sensing properties due to their high chemical activity, which results from unsaturated coordination of surface atoms, superior to that of low-energy facets. These results effectively demonstrate the significance of research into improving the physical and chemical properties of materials by tailoring exposed facets of nanomaterials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Aqueous phase synthesis of Au-Ag core-shell nanocrystals with tunable shapes and their optical and catalytic properties.

    Science.gov (United States)

    Tsao, Yu-Chi; Rej, Sourav; Chiu, Chun-Ya; Huang, Michael H

    2014-01-08

    In this study, rhombic dodecahedral gold nanocrystals were used as cores for the generation of Au-Ag core-shell nanocrystals with cubic, truncated cubic, cuboctahedral, truncated octahedral, and octahedral structures. Gold nanocrystals were added to an aqueous mixture of cetyltrimethylammonium chloride (CTAC) surfactant, AgNO3, ascorbic acid, and NaOH to form the core-shell nanocrystals. The nanocrystals are highly uniform in size and shape, and can readily self-assemble into ordered packing structures on substrates. Results from observation of solution color changes and variation in the reaction temperature suggest octahedra are produced at a higher growth rate, while slower growth favors cube formation. The major localized surface plasmon resonance (LSPR) band positions for these nanocrystals are red-shifted compared to those for pristine silver particles with similar dimensions due to the LSPR effect from the gold cores. By increasing the concentrations of reagents, Au-Ag core-shell cubes and octahedra with tunable sizes were obtained. Au-Ag cubes with body diagonals of 130, 144, and 161 nm and octahedra with body diagonals of 113, 126, and 143 nm have been prepared, allowing the investigation of size effect on their optical properties. Au-Ag octahedra with thinner Ag shells (12-16.5 nm) exhibit a blue-shifted major LSPR band relative to the LSPR band at 538 nm for the gold cores. For Au-Ag octahedra and cubes with thicker shells (22.5-37 nm), the major LSPR band is progressively red-shifted from that of the gold cores with increasing shell thickness and particle size. The Au-Ag octahedra show higher catalytic activity than cubes toward reduction of 2-amino-5-nitrophenol by NaBH4 at 30 °C, but both particle shapes display significantly enhanced catalytic efficiency at 40 °C.

  9. Identification of Catalytic Residues Using a Novel Feature that Integrates the Microenvironment and Geometrical Location Properties of Residues

    Science.gov (United States)

    Han, Lei; Zhang, Yong-Jun; Song, Jiangning; Liu, Ming S.; Zhang, Ziding

    2012-01-01

    Enzymes play a fundamental role in almost all biological processes and identification of catalytic residues is a crucial step for deciphering the biological functions and understanding the underlying catalytic mechanisms. In this work, we developed a novel structural feature called MEDscore to identify catalytic residues, which integrated the microenvironment (ME) and geometrical properties of amino acid residues. Firstly, we converted a residue's ME into a series of spatially neighboring residue pairs, whose likelihood of being located in a catalytic ME was deduced from a benchmark enzyme dataset. We then calculated an ME-based score, termed as MEscore, by summing up the likelihood of all residue pairs. Secondly, we defined a parameter called Dscore to measure the relative distance of a residue to the center of the protein, provided that catalytic residues are typically located in the center of the protein structure. Finally, we defined the MEDscore feature based on an effective nonlinear integration of MEscore and Dscore. When evaluated on a well-prepared benchmark dataset using five-fold cross-validation tests, MEDscore achieved a robust performance in identifying catalytic residues with an AUC1.0 of 0.889. At a ≤10% false positive rate control, MEDscore correctly identified approximately 70% of the catalytic residues. Remarkably, MEDscore achieved a competitive performance compared with the residue conservation score (e.g. CONscore), the most informative singular feature predominantly employed to identify catalytic residues. To the best of our knowledge, MEDscore is the first singular structural feature exhibiting such an advantage. More importantly, we found that MEDscore is complementary with CONscore and a significantly improved performance can be achieved by combining CONscore with MEDscore in a linear manner. As an implementation of this work, MEDscore has been made freely accessible at http://protein.cau.edu.cn/mepi/. PMID:22829945

  10. One pot in situ growth of gold nanoparticles on amine-modified graphene oxide and their high catalytic properties

    Science.gov (United States)

    Ju, Yuyun; Li, Xi; Feng, Jie; Ma, Yanhua; Hu, Jing; Chen, Xingguo

    2014-10-01

    In this work, one pot strategy was proposed for in situ growth of Au nanoparticles (Au NPs) on the surface of amine-modified graphene oxide (GO@NH2) nanosheets. Au NPs were generated via an in situ reduction of Au3+ by Cu+ which was linked to the surface of GO@NH2 nanosheets through inorganic grafting. The initial Au NPs then served as seed for subsequent particle growth. The as-obtained GO@NH2-Au nanocomposites (GO@NH2-Au NCs) exhibited high catalytic activity for the degradation of 4-nitrophenol, which was a refractory pollutant that occur in industrial waste water. The catalytic efficiency was examined by turnover frequency (TOF). It was calculated to be 595 h-1, which was higher than that of other Au catalysts. Furthermore, the as-prepared catalyst showed high cycle stabilization during the catalytic reduction.

  11. Operando surface spectroscopy-placing catalytic solids at work under the spotlight

    NARCIS (Netherlands)

    Arean, C.O.; Weckhuysen, B.M.; Zecchina, A.

    2012-01-01

    Heterogeneous catalysis is involved in the vast majority of industrial chemical processes performed nowadays, and an increased understanding of catalytic reactions is of the utmost relevance to develop a sustainable and cleaner technology. In order to make new (or improved) catalytic solids, an

  12. Catalytically-etched hexagonal boron nitride flakes and their surface activity

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Do-Hyun, E-mail: nanotube@korea.ac.kr [School of Electrical Engineering, Korea University, 5-ga, Anam-dong, Seongbuk-gu, Seoul 136-713 (Korea, Republic of); Lee, Minwoo; Ye, Bora [Green Manufacturing 3Rs R& D Group, Korea Institute of Industrial Technology, Ulsan 681-310 (Korea, Republic of); Jang, Ho-Kyun; Kim, Gyu Tae [School of Electrical Engineering, Korea University, 5-ga, Anam-dong, Seongbuk-gu, Seoul 136-713 (Korea, Republic of); Lee, Dong-Jin [New Functional Components Research Team, Korea Institute of Footware & Leather Technology, 152 Danggamseo-ro, Busanjin-gu, Busan 614-100 (Korea, Republic of); Kim, Eok-Soo [Green Manufacturing 3Rs R& D Group, Korea Institute of Industrial Technology, Ulsan 681-310 (Korea, Republic of); Kim, Hong Dae, E-mail: hdkim@kitech.re.kr [Green Manufacturing 3Rs R& D Group, Korea Institute of Industrial Technology, Ulsan 681-310 (Korea, Republic of)

    2017-04-30

    Highlights: • Hexagonal boron nitride flakes are etched at low temperature in air by catalysts. • The presence of transition metal oxides produces an etched structure in the flakes. • Etched surfaces become highly active due to vacancy defects formed in the flakes. - Abstract: Hexagonal boron nitride (h-BN) is a ceramic compound which is thermally stable up to 1000 °C in air. Due to this, it is a very challenging task to etch h-BN under air atmosphere at low temperature. In this study, we report that h-BN flakes can be easily etched by oxidation at 350 °C under air atmosphere in the presence of transition metal (TM) oxide. After selecting Co, Cu, and Zn elements as TM precursors, we simply oxidized h-BN sheets impregnated with the TM precursors at 350 °C in air. As a result, microscopic analysis revealed that an etched structure was created on the surface of h-BN flakes regardless of catalyst type. And, X-ray diffraction patterns indicated that the air oxidation led to the formation of Co{sub 3}O{sub 4}, CuO, and ZnO from each precursor. Thermogravimetric analysis showed a gradual weight loss in the temperature range where the weight of h-BN flakes increased by air oxidation. As a result of etching, pore volume and pore area of h-BN flakes were increased after catalytic oxidation in all cases. In addition, the surface of h-BN flakes became highly active when the h-BN samples were etched by Co{sub 3}O{sub 4} and CuO catalysts. Based on these results, we report that h-BN flakes can be easily oxidized in the presence of a catalyst, resulting in an etched structure in the layered structure.

  13. 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.

  14. Magnetic Vinylphenyl Boronic Acid Microparticles for Surface Catalytic Performance in Esterification of Propionic Acid with Methanol

    Directory of Open Access Journals (Sweden)

    Ali Kara

    2016-12-01

    Full Text Available Magnetic vinylphenyl boronic acid microparticles, poly(ethylene glycol dimethacrylate-vinylphenyl boronic acid [m-poly(EGDMA-VPBA], produced by suspension polymerization, was found to be efficient solid acid catalyst for the esterification of methanol and propionic acid. Characterization techniques such as FT-IR, Elemental analyses, ICP-AES, ESR, SEM and N2 sorption showed that both of Fe3O4 and H2SO4 are bonded to the polymer successfully. Esterification was studied for different molar percentages of H2SO4 at temperature range of 50-70 oC. The apparent activation energy was found to be 27.7 kj.mol-1 for 10% H2SO4 doped m-poly(EGDMA-VPBA. Combining of strong acid H2SO4 with m-poly(EGDMA-VPBA, leads to materials with different functional properties. In addition, H2SO4 species could be introduced into the structure as acid centers, therefore this micro-dimensional catalyst has potential candidate for applications in the catalytic esterifications such as propionic acid with methanol.

  15. Catalytic properties of two Rhizopus oryzae 99-880 glucoamylase enzymes without starch binding domains expressed in Pichia pastoris

    Science.gov (United States)

    Catalytic properties of the two glucoamylases, AmyC and AmyD, without starch binding domains from Rhizopus oryzae strain 99-880 were heterologously expressed and purified to homogeneity. AmyC and AmyD demonstrate pH optima of 5.5 and 6.0, respectively, nearly 1 unit higher than most fungal glucoamy...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

  17. Structural, catalytic and magnetic properties of Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Briceno, Sarah, E-mail: sbriceno@ivic.gob.ve [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of); Del Castillo, Hector [Laboratorio de Cinetica y Catalisis, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Sagredo, V. [Laboratorio de Magnetismo, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101-A (Venezuela, Bolivarian Republic of); Bramer-Escamilla, Werner; Silva, Pedro [Laboratorio de Fisica de la Materia Condensada, Centro de Fisica, Instituto Venezolano de Investigaciones Cientificas (IVIC), Apartado 20632, Caracas 1020-A (Venezuela, Bolivarian Republic of)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} ferrite synthesized by sol-gel auto-combustion method. Black-Right-Pointing-Pointer Structural identification, magnetic and catalytic properties were investigated. Black-Right-Pointing-Pointer Characterization by TGA, DTA, XRD, SEM, TEM and VSM techniques. Black-Right-Pointing-Pointer Magnetic properties decrease with the increase of Cu{sup 2+} doping. Black-Right-Pointing-Pointer The selective conversion to N{sub 2} is higher for Cu-Co mixed ferrites. - Abstract: Copper substituted cobalt ferrite Cu{sub 1-X}Co{sub X}Fe{sub 2}O{sub 4} (0 {<=}x {<=} 1) have been synthesized using sol-gel auto combustion method with citric acid as fuel. Structural identification, magnetic and catalytic properties were investigated using thermogravimetric and differential thermal analysis, X-ray diffraction, scanning electron microscopy, transmission electron microscopy, vibrating sample magnetometry and their application in the selective catalytic reduction of NOx were studied. Analysis of structural properties reveals that all samples have cubic spinel structure. Room temperature magnetic hysteresis measurements as a function of magnetic field infer that the magnetic properties decrease with Cu{sup 2+} doping which may be due to the difference of the magnetic moment of Cu{sup 2+} and Co{sup 2+} ions. The higher activity of the samples in NO selective reduction to N{sub 2} occurs at 350 Degree-Sign C, reaching a maximum of 38% NO conversion and 95% of selective conversion to N{sub 2}. The compositions containing both Cu{sup 2+} and Co{sup 2+} ions are more active to the products selectivity to N{sub 2}, suggesting a synergistic effect on the active surface of ferrite and the effect of Co{sup 2+} is more pronounced than Cu{sup 2+} towards NO conversion.

  18. Precursor effect on the property and catalytic behavior of Fe-TS-1 in butadiene epoxidation

    Science.gov (United States)

    Wu, Mei; Zhao, Huahua; Yang, Jian; Zhao, Jun; Song, Huanling; Chou, Lingjun

    2017-11-01

    The effect of iron precursor on the property and catalytic behavior of iron modified titanium silicalite molecular sieve (Fe-TS-1) catalysts in butadiene selective epoxidation has been studied. Three Fe-TS-1 catalysts were prepared, using iron nitrate, iron chloride and iron sulfate as precursors, which played an important role in adjusting the textural properties and chemical states of TS-1. Of the prepared Fe-TS-1 catalysts, those modified by iron nitrate (FN-TS-1) exhibited a significant enhanced performance in butadiene selective epoxidation compared to those derived from iron sulfate (FS-TS-1) or iron chloride (FC-TS-1) precursors. To obtain a deep understanding of their structure-performance relationship, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Temperature programmed desorption of NH3 (NH3-TPD), Diffuse reflectance UV-Vis spectra (DR UV-Vis), Fourier transformed infrared spectra (FT-IR) and thermal gravimetric analysis (TGA) were conducted to characterize Fe-TS-1 catalysts. Experimental results indicated that textural structures and acid sites of modified catalysts as well as the type of Fe species influenced by the precursors were all responsible for the activity and product distribution.

  19. Flower-Like Mn-Doped CeO2 Microstructures: Synthesis, Characterizations, and Catalytic Properties

    Directory of Open Access Journals (Sweden)

    Ling Liu

    2015-01-01

    Full Text Available Mn-doped CeO2 flower-like microstructures have been synthesized by a facile method, involving the precipitation of metallic alkoxide precursor in a polyol process from the reaction of CeCl3·7H2O with ethylene glycol in the presence of urea followed by calcination. By introducing manganese ions, the composition can be freely manipulated. To investigate whether there was a hybrid synergic effect in CH4 combustion reaction, further detailed characteristics of Mn-doped CeO2 with various manganese contents were revealed by XRD, Raman, FT-IR, SEM, EDS, XPS, OSC, H2-TPR, and N2 adsorption-desorption measurements. The doping manganese is demonstrated to increase the storage of oxygen vacancy for CH4 and enhance the redox capability, which can efficiently convert CH4 to CO2 and H2O under oxygen-rich condition. The excellent catalytic performance of MCO-3 sample, which was obtained with the starting Mn/Ce ratios of 0.2 in the initial reactant compositions, is associated with the larger surface area and richer surface active oxygen species.

  20. Enhanced catalytic properties of Pt-based electrode by doped Cu and Ce

    Science.gov (United States)

    Yue, Dehuai; Yang, Bin

    2017-08-01

    Novel PtCuCeO x composite membrane electrode materials were fabricated on the surface of graphite fibrous cloth by ion beam sputtering (IBS). The cyclic voltammetry (CV) and linear sweep voltammetry (LSV) were used to analyze the influence of doped Cu and Ce on the membrane electrocatalysis performance in a tri-electrode system. The phase composition, surface structure, interfacial structure and catalytic performance of PtCuCeO x membrane were studied by x-ray diffraction (XRD) and high resolution transmission electron microscope (HR-TEM&STEM). The results indicate that surface particles of membrane electrode are made up of PtCu alloy grains and a few CeO x grains, and the interface structure of oxide metal is formed between them. The crystal plane spacing between PtCu alloy grain is reduced by about 1.11% after the corrosion, which helps increase the electron density on Pt atom. As a result, the catalysis capability of PtCu alloy is enhanced. When the content of Ce is less than or equal to 0.28 wt.%, CeO x exists in the form of amorphous. It is exciting to demonstrate that the existence of CeO x enhances the dispersion of PtCuCeO x catalyst particles. The experimental results reveal that the synthesized material possesses the best electrochemical activity surface area (ESA) and exchange current density (i 0). Compared to pure Pt catalyst, this PtCuCeO x catalyst contains much less Pt content (only 42% of Pt catalyst). However, the electrochemical performance is enhanced by 71.8% compared with pure Pt.

  1. Excimer laser surface modification: Process and properties

    Energy Technology Data Exchange (ETDEWEB)

    Jervis, T.R.; Nastasi, M. [Los Alamos National Lab., NM (United States); Hirvonen, J.P. [Technical Research Institute, Espoo (Finland). Metallurgy Lab.

    1992-12-01

    Surface modification can improve materials for structural, tribological, and corrosion applications. Excimer laser light has been shown to provide a rapid means of modifying surfaces through heat treating, surface zone refining, and mixing. Laser pulses at modest power levels can easily melt the surfaces of many materials. Mixing within the molten layer or with the gas ambient may occur, if thermodynamically allowed, followed by rapid solidification. The high temperatures allow the system to overcome kinetic barriers found in some ion mixing experiments. Alternatively, surface zone refinement may result from repeated melting-solidification cycles. Ultraviolet laser light couples energy efficiently to the surface of metallic and ceramic materials. The nature of the modification that follows depends on the properties of the surface and substrate materials. Alloying from both gas and predeposited layer sources has been observed in metals, semiconductors, and ceramics as has surface enrichment of Cr by zone refinement of stainless steel. Rapid solidification after melting often results in the formation of nonequilibrium phases, including amorphous materials. Improved surface properties, including tribology and corrosion resistance, are observed in these materials.

  2. Redox and electrochemical water splitting catalytic properties of hydrated metal oxide modified electrodes.

    Science.gov (United States)

    Doyle, Richard L; Godwin, Ian J; Brandon, Michael P; Lyons, Michael E G

    2013-09-07

    This paper presents a review of the redox and electrocatalytic properties of transition metal oxide electrodes, paying particular attention to the oxygen evolution reaction. Metal oxide materials may be prepared using a variety of methods, resulting in a diverse range of redox and electrocatalytic properties. Here we describe the most common synthetic routes and the important factors relevant to their preparation. The redox and electrocatalytic properties of the resulting oxide layers are ascribed to the presence of extended networks of hydrated surface bound oxymetal complexes termed surfaquo groups. This interpretation presents a possible unifying concept in water oxidation catalysis - bridging the fields of heterogeneous electrocatalysis and homogeneous molecular catalysis.

  3. Ferroelectric polarization effect on surface chemistry and photo-catalytic activity: A review

    Science.gov (United States)

    Khan, M. A.; Nadeem, M. A.; Idriss, H.

    2016-03-01

    The current efficiency of various photocatalytic processes is limited by the recombination of photogenerated electron-hole pairs in the photocatalyst as well as the back-reaction of intermediate species. This review concentrates on the use of ferroelectric polarization to mitigate electron-hole recombination and back-reactions and therefore improve photochemical reactivity. Ferroelectric materials are considered as wide band gap polarizable semiconductors. Depending on the surface polarization, different regions of the surface experience different extents of band bending and promote different carriers to move to spatially different locations. This can lead to some interesting interactions at the surface such as spatially selective adsorption and surface redox reactions. This introductory review covers the fundamental properties of ferroelectric materials, effect of an internal electric field/polarization on charge carrier separation, effect of the polarization on the surface photochemistry and reviews the work done on the use of these ferroelectric materials for photocatalytic applications such as dye degradation and water splitting. The manipulation of photogenerated charge carriers through an internal electric field/surface polarization is a promising strategy for the design of improved photocatalysts.

  4. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2013-11-27

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  5. Improved surface-enhanced Raman and catalytic activities of reduced graphene oxide–osmium hybrid nano thin films

    OpenAIRE

    Kavitha, C.; Bramhaiah, K.; John, Neena S.; Aggarwal, Shantanu

    2017-01-01

    Reduced graphene oxide–osmium (rGO-Os) hybrid nano dendtrites have been prepared by simple liquid/liquid interface method for the first time. The method involves the introduction of phase-transfered metal organic precursor in toluene phase and GO dispersion in the aqueous phase along with hydrazine hydrate as the reducing agent. Dendritic networks of Os nanoparticles and their aggregates decorating rGO layers are obtained. The substrate shows improved catalytic and surface-enhanced activities...

  6. Surface Properties of TNOs: Preliminary Statistical Analysis

    Science.gov (United States)

    Antonieta Barucci, Maria; Fornasier, S.; Alvarez-Cantal, A.; de Bergh, C.; Merlin, F.; DeMeo, F.; Dumas, C.

    2009-09-01

    An overview of the surface properties based on the last results obtained during the Large Program performed at ESO-VLT (2007-2008) will be presented. Simultaneous high quality visible and near-infrared spectroscopy and photometry have been carried out on 40 objects with various dynamical properties, using FORS1 (V), ISAAC (J) and SINFONI (H+K bands) mounted respectively at UT2, UT1 and UT4 VLT-ESO telescopes (Cerro Paranal, Chile). For spectroscopy we computed the spectral slope for each object and searched for possible rotational inhomogeneities. A few objects show features in their visible spectra such as Eris, whose spectral bands are displaced with respect to pure methane-ice. We identify new faint absorption features on 10199 Chariklo and 42355 Typhon, possibly due to the presence of aqueous altered materials. The H+K band spectroscopy was performed with the new instrument SINFONI which is a 3D integral field spectrometer. While some objects show no diagnostic spectral bands, others reveal surface deposits of ices of H2O, CH3OH, CH4, and N2. To investigate the surface properties of these bodies, a radiative transfer model has been applied to interpret the entire 0.4-2.4 micron spectral region. The diversity of the spectra suggests that these objects represent a substantial range of bulk compositions. These different surface compositions can be diagnostic of original compositional diversity, interior source and/or different evolution with different physical processes affecting the surfaces. A statistical analysis is in progress to investigate the correlation of the TNOs’ surface properties with size and dynamical properties.

  7. Enhancement of surface properties for coal beneficiation

    Energy Technology Data Exchange (ETDEWEB)

    Chander, S.; Aplan, F.F.

    1992-01-30

    This report will focus on means of pyrite removal from coal using surface-based coal cleaning technologies. The major subjects being addressed in this study are the natural and modulated surface properties of coal and pyrite and how they may best be utilized to facilitate their separation using advanced surface-based coal cleaning technology. Emphasis is based on modified flotation and oil agglomerative processes and the basic principles involved. The four areas being addressed are: (1) Collectorless flotation of pyrite; (2) Modulation of pyrite and coal hydrophobicity; (3) Emulsion processes and principles; (4) Evaluation of coal hydrophobicity.

  8. Catalytic Properties and Immobilization Studies of Catalase from Malva sylvestris L.

    Directory of Open Access Journals (Sweden)

    G. Arabaci

    2013-01-01

    Full Text Available Catalase was partially purified from Malva sylvestris L. and immobilized onto chitosan. Then, its catalytic properties were investigated. (NH42SO4 precipitation and dialysis were performed in the extracted enzyme. Further purification was performed with sephadex G-200 column. Kinetic studies of the purified enzyme activity were measured and characterized. The inhibitory effects of KCN, NaN3, CuSO4, and EDTA on M. sylvestris L. catalase activity were observed except NaCl. Furthermore, M. sylvestris L. catalase was immobilized covalently with glutaraldehyde onto chitosan particles. The pH and temperature optima as well as the changes in the kinetics (Km, Vmax of the immobilized and free M. sylvestris L. catalase were determined. The Km value for immobilized catalase (23.4 mM was higher than that of free enzyme (17.6 mM. Optimum temperature was observed higher than that of the free enzyme. The optimum pH was the same for both free and immobilized catalases (pH 7.50. Immobilized catalase showed higher storage and thermal stabilities than free catalases. Free catalase lost all its activity within 60 days whereas immobilized catalase lost 45% of its activity during the same incubation period at 4°C. The remaining immobilized catalase activity was about 70% after 8 cycles of batch operations.

  9. Investigation into catalytic properties of the second group metal molybdates in acrolein oxidation

    International Nuclear Information System (INIS)

    Yakubovich, M.N.; Gorochovatskij, Ya.B.; Alchazov, T.G.; Adzhamov, K.Yu.

    1976-01-01

    The catalytic properties are investigated of magnesium, calcium, strontium, zinc, cadmium, and barium molybdates. Temperature dependence of catalysts activity is studied. At temperature over 370 deg C the activity becomes higher in the series ZnMoO 4 -CaMoO 4 -MgMoO 4 -SrMoO 4 . A sharp fall in the activity is observed for BaMoO 4 , and CdMoO 4 . SrMoO 4 is the most active catalyst. The activity series have been made up with respect to the formation of acrylic acid: MgMoO 4 >ZnMoO 4 >CaMoO 4 , and also with respect to the formation of the deep oxidation products: SrMoO 4 >CaMoO 4 >MgMoO 4 >ZnMoO 4 . The dependence of selectivity with respect to the formation of acrylic acid and the sum of the acids on temperature is provided

  10. Functional Properties of the Catalytic Domain of Mouse Acidic Mammalian Chitinase Expressed in Escherichia coli

    Science.gov (United States)

    Kashimura, Akinori; Kimura, Masahiro; Okawa, Kazuaki; Suzuki, Hirotaka; Ukita, Atsushi; Wakita, Satoshi; Okazaki, Kana; Ohno, Misa; Bauer, Peter O.; Sakaguchi, Masayoshi; Sugahara, Yasusato; Oyama, Fumitaka

    2015-01-01

    Mouse acidic mammalian chitinase (AMCase) plays important physiological roles in defense and nutrition. AMCase is composed of an N-terminal catalytic domain (CatD) and a C-terminal chitin-binding domain (CBD). We expressed CatD of mouse AMCase as a recombinant fusion protein with Protein A and V5-His in Escherichia coli (Protein A-CatD-V5-His), evaluated its functional properties and compared them to the full-length AMCase (Protein A-AMCase-V5-His). Under our experimental conditions, the chitinolytic activity of both proteins against 4-nitrophenyl N,N'-diacetyl-β-d-chitobioside was equivalent with regard to their specific enzymatic activities, optimal pH and temperature as well as to the pH and temperature stability. CatD bound to chitin beads and cleaved the N-acetylglucosamine hexamer, colloidal and crystalline chitin as well as the shrimp shell, and released primarily N,N'-diacetylchitobiose fragments at pH 2.0. These results indicate that the primary structure of CatD is sufficient to form a proper tertiary structure required for chitinolytic activity, recognize chitin substrates and degrade them in the absence of a CBD. Our recombinant proteins can be used for further studies evaluating pathophysiological roles of AMCase in different diseases. PMID:25689423

  11. Functional Properties of the Catalytic Domain of Mouse Acidic Mammalian Chitinase Expressed in Escherichia coli

    Directory of Open Access Journals (Sweden)

    Akinori Kashimura

    2015-02-01

    Full Text Available Mouse acidic mammalian chitinase (AMCase plays important physiological roles in defense and nutrition. AMCase is composed of an N-terminal catalytic domain (CatD and a C-terminal chitin-binding domain (CBD. We expressed CatD of mouse AMCase as a recombinant fusion protein with Protein A and V5-His in Escherichia coli (Protein A-CatD-V5-His, evaluated its functional properties and compared them to the full-length AMCase (Protein A-AMCase-V5-His. Under our experimental conditions, the chitinolytic activity of both proteins against 4-nitrophenyl N,N'-diacetyl-β-d-chitobioside was equivalent with regard to their specific enzymatic activities, optimal pH and temperature as well as to the pH and temperature stability. CatD bound to chitin beads and cleaved the N-acetylglucosamine hexamer, colloidal and crystalline chitin as well as the shrimp shell, and released primarily N,N'-diacetylchitobiose fragments at pH 2.0. These results indicate that the primary structure of CatD is sufficient to form a proper tertiary structure required for chitinolytic activity, recognize chitin substrates and degrade them in the absence of a CBD. Our recombinant proteins can be used for further studies evaluating pathophysiological roles of AMCase in different diseases.

  12. Functional properties of the catalytic domain of mouse acidic mammalian chitinase expressed in Escherichia coli.

    Science.gov (United States)

    Kashimura, Akinori; Kimura, Masahiro; Okawa, Kazuaki; Suzuki, Hirotaka; Ukita, Atsushi; Wakita, Satoshi; Okazaki, Kana; Ohno, Misa; Bauer, Peter O; Sakaguchi, Masayoshi; Sugahara, Yasusato; Oyama, Fumitaka

    2015-02-13

    Mouse acidic mammalian chitinase (AMCase) plays important physiological roles in defense and nutrition. AMCase is composed of an N-terminal catalytic domain (CatD) and a C-terminal chitin-binding domain (CBD). We expressed CatD of mouse AMCase as a recombinant fusion protein with Protein A and V5-His in Escherichia coli (Protein A-CatD-V5-His), evaluated its functional properties and compared them to the full-length AMCase (Protein A-AMCase-V5-His). Under our experimental conditions, the chitinolytic activity of both proteins against 4-nitrophenyl N,N'-diacetyl-β-D-chitobioside was equivalent with regard to their specific enzymatic activities, optimal pH and temperature as well as to the pH and temperature stability. CatD bound to chitin beads and cleaved the N-acetylglucosamine hexamer, colloidal and crystalline chitin as well as the shrimp shell, and released primarily N,N'-diacetylchitobiose fragments at pH 2.0. These results indicate that the primary structure of CatD is sufficient to form a proper tertiary structure required for chitinolytic activity, recognize chitin substrates and degrade them in the absence of a CBD. Our recombinant proteins can be used for further studies evaluating pathophysiological roles of AMCase in different diseases.

  13. Activation of Al–Cu–Fe quasicrystalline surface: fabrication of a fine nanocomposite layer with high catalytic performance

    Directory of Open Access Journals (Sweden)

    Satoshi Kameoka

    2014-01-01

    Full Text Available A fine layered nanocomposite with a total thickness of about 200 nm was formed on the surface of an Al63Cu25Fe12 quasicrystal (QC. The nanocomposite was found to exhibit high catalytic performance for steam reforming of methanol. The nanocomposite was formed by a self-assembly process, by leaching the Al–Cu–Fe QC using a 5 wt% Na2CO3 aqueous solution followed by calcination in air at 873 K. The quasiperiodic nature of the QC played an important role in the formation of such a structure. Its high catalytic activity originated from the presence of highly dispersed copper and iron species, which also suppressed the sintering of nanoparticles.

  14. Improved surface-enhanced Raman and catalytic activities of reduced graphene oxide-osmium hybrid nano thin films

    Science.gov (United States)

    Kavitha, C.; Bramhaiah, K.; John, Neena S.; Aggarwal, Shantanu

    2017-09-01

    Reduced graphene oxide-osmium (rGO-Os) hybrid nano dendtrites have been prepared by simple liquid/liquid interface method for the first time. The method involves the introduction of phase-transfered metal organic precursor in toluene phase and GO dispersion in the aqueous phase along with hydrazine hydrate as the reducing agent. Dendritic networks of Os nanoparticles and their aggregates decorating rGO layers are obtained. The substrate shows improved catalytic and surface-enhanced activities comparable with previous reports. The catalytic activity was tested for the reduction of p-nitroaniline into p-phenyldiamine with an excess amount of NaBH4. The catalytic activity factors of these hybrid films are 2.3 s-1 g-1 (Os film) and 4.4 s-1 g-1 (rGO-Os hybrid film), which are comparable with other noble metal nanoparticles such as Au, Ag, but lower than Pd-based catalysts. Surface-enhanced Raman spectroscopy (SERS) measurements have been done on rhodamine 6G (R6G) and methylene blue dyes. The enhancement factor for the R6G adsorbed on rGO-Os thin film is 1.0 × 105 and for Os thin film is 7 × 103. There is a 14-fold enhancement observed for Os hybrids with rGO. The enhanced catalytic and SERS activities of rGO-Os hybrid thin film prepared by simple liquid/liquid interface method open up new challenges in electrocatalytic application and SERS-based detection of biomolecules.

  15. Nanocrystal and surface alloy properties of bimetallic Gold-Platinum nanoparticles

    Directory of Open Access Journals (Sweden)

    Mott Derrick

    2006-01-01

    Full Text Available AbstractWe report on the correlation between the nanocrystal and surface alloy properties with the bimetallic composition of gold-platinum(AuPt nanoparticles. The fundamental understanding of whether the AuPt nanocrystal core is alloyed or phase-segregated and how the surface binding properties are correlated with the nanoscale bimetallic properties is important not only for the exploitation of catalytic activity of the nanoscale bimetallic catalysts, but also to the general exploration of the surface or interfacial reactivities of bimetallic or multimetallic nanoparticles. The AuPt nanoparticles are shown to exhibit not only single-phase alloy character in the nanocrystal, but also bimetallic alloy property on the surface. The nanocrystal and surface alloy properties are directly correlated with the bimetallic composition. The FTIR probing of CO adsorption on the bimetallic nanoparticles supported on silica reveals that the surface binding sites are dependent on the bimetallic composition. The analysis of this dependence further led to the conclusion that the relative Au-atop and Pt-atop sites for the linear CO adsorption on the nanoparticle surface are not only correlated with the bimetallic composition, but also with the electronic effect as a result of the d-band shift of Pt in the bimetallic nanocrystals, which is the first demonstration of the nanoscale core-surface property correlation for the bimetallic nanoparticles over a wide range of bimetallic composition.

  16. Influence of the phase composition on the catalytic properties of ammonia synthesis catalysts

    International Nuclear Information System (INIS)

    Peev, T.M.; Bojinova, A.I.; Krylova, A.V.

    1981-01-01

    The phase composition of CA-1-type catalysts for ammonia synthesis was investigated by means of Moessbauer spectroscopy. A correlation was found between the catalytic activity of the samples and their wuestite content. (author)

  17. Surface active properties of lipid nanocapsules.

    Directory of Open Access Journals (Sweden)

    Celia R A Mouzouvi

    Full Text Available Lipid nanocapsules (LNCs are biomimetic nanocarriers used for the encapsulation of a broad variety of active ingredients. Similar to surface active compounds, LNCs contain both hydrophilic and hydrophobic parts in their structure. Moreover, the components of LNCs, macrogol 15 hydroxystearate (MHS and lecithin, are known for their surface active properties. Therefore, the aim of this paper was to investigate the capability of the LNCs to decrease surface tension using two techniques: drop tensiometry and the Wilhelmy plate method. LNCs with diameters ranging from 30 to 100 nm were successfully obtained using a phase inversion technique. The LNCs' properties, such as size and zeta potential, depend on the composition. LNCs exhibit a lower limiting surface tension compared to MHS (34.8-35.0 mN/m and 37.7-38.8 mN/m, respectively, as confirmed by both drop tensiometry and the Wilhelmy plate method. LNCs have exhibited a saturated interfacial concentration (SIC that was 10-fold higher than the critical micellar concentration (CMC of MHS or the SIC of binary and ternary mixtures of LNC ingredients. The SIC of the LNC formulations depended on the mass mixing ratio of the MHS/triglycerides but not on the presence of lecithin. The CMC/SIC values measured by the Wilhelmy plate method were higher than those obtained using drop tensiometry because of the longer duration of the tensiometry measurement. In conclusion, the surfactant-like properties of the LNCs offer new possibilities for medical and pharmaceutical applications.

  18. 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.

  19. Resolving the Structure of Active Sites on Platinum Catalytic Nanoparticles

    DEFF Research Database (Denmark)

    Chang, Lan Yun; Barnard, Amanda S.; Gontard, Lionel Cervera

    2010-01-01

    Accurate understanding of the structure of active sites is fundamentally important in predicting catalytic properties of heterogeneous nanocatalysts. We present an accurate determination of both experimental and theoretical atomic structures of surface monatomic steps on industrial platinum nanop...

  20. Theoretical modeling of the plasma-assisted catalytic growth and field emission properties of graphene sheet

    International Nuclear Information System (INIS)

    Sharma, Suresh C.; Gupta, Neha

    2015-01-01

    A theoretical modeling for the catalyst-assisted growth of graphene sheet in the presence of plasma has been investigated. It is observed that the plasma parameters can strongly affect the growth and field emission properties of graphene sheet. The model developed accounts for the charging rate of the graphene sheet; number density of electrons, ions, and neutral atoms; various elementary processes on the surface of the catalyst nanoparticle; surface diffusion and accretion of ions; and formation of carbon-clusters and large graphene islands. In our investigation, it is found that the thickness of the graphene sheet decreases with the plasma parameters, number density of hydrogen ions and RF power, and consequently, the field emission of electrons from the graphene sheet surface increases. The time evolution of the height of graphene sheet with ion density and sticking coefficient of carbon species has also been examined. Some of our theoretical results are in compliance with the experimental observations

  1. Characterizing the statistical properties of protein surfaces

    Science.gov (United States)

    Bak, Ji Hyun; Bitbol, Anne-Florence; Bialek, William

    Proteins and their interactions form the body of the signaling transduction pathway in many living systems. In order to ensure the accuracy as well as the specificity of signaling, it is crucial that proteins recognize their correct interaction partners. How difficult, then, is it for a protein to discriminate its correct interaction partner(s) from the possibly large set of other proteins it may encounter in the cell? An important ingredient of recognition is shape complementarity. The ensemble of protein shapes should be constrained by the need for maintaining functional interactions while avoiding spurious ones. To address this aspect of protein recognition, we consider the ensemble of proteins in terms of the shapes of their surfaces. We take into account the high-resolution structures of E.coli non-DNA-binding cytoplasmic proteins, retrieved from the Protein Data Bank. We aim to characterize the statistical properties of the protein surfaces at two levels: First, we study the intrinsic dimensionality at the level of the ensemble of the surface objects. Second, at the level of the individual surfaces, we determine the scale of shape variation. We further discuss how the dimensionality of the shape space is linked to the statistical properties of individual protein surfaces. Jhb and WB acknowledge support from National Science Foundation Grants PHY-1305525 and PHY-1521553. AFB acknowledges support from the Human Frontier Science Program.

  2. Welcome to Surface Topography: Metrology and Properties

    Science.gov (United States)

    Leach, Richard

    2013-11-01

    I am delighted to welcome readers to this inaugural issue of Surface Topography: Metrology and Properties (STMP). In these days of citation indexes and academic reviews, it is a tough, and maybe a brave, job to start a new journal. But the subject area has never been more active and we are seeing genuine breakthroughs in the use of surfaces to control functional performance. Most manufactured parts rely on some form of control of their surface characteristics. The surface is usually defined as that feature on a component or device, which interacts with either the environment in which it is housed (or in which the device operates), or with another surface. The surface topography and material characteristics of a part can affect how fluids interact with it, how the part looks and feels and how two bearing parts will slide together. The need to control, and hence measure, surface features is becoming increasingly important as we move into a miniaturized world. Surface features can become the dominant functional features of a part and may become large in comparison to the overall size of an object. Research into surface texture measurement and characterization has been carried out for over a century and is now more active than ever, especially as new areal surface texture specification standards begin to be introduced. The range of disciplines for which the function of a surface relates to its topography is very diverse; from metal sheet manufacturing to art restoration, from plastic electronics to forensics. Until now, there has been no obvious publishing venue to bring together all these applications with the underlying research and theory, or to unite those working in academia with engineering and industry. Hence the creation of Surface Topography: Metrology and Properties . STMP will publish the best work being done across this broad discipline in one journal, helping researchers to share common themes and highlighting and promoting the extraordinary benefits this

  3. External field-assisted solution synthesis and selectively catalytic properties of amorphous iron nanoplatelets

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Jianguo; Yan, Gongqin; Wang, Wei; Liu, Jun

    2012-03-07

    This work describes an easy and flexible approach for the synthesis of 2D nanostructures by external composite field-induced self-assembly. Amorphous iron nanoplatelets with a large aspect ratio were prepared by reducing a concentrated FeSO4 solution with NaBH4 without any templates or surfactants under a magnetic field and a shear field, and characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD). Based on the morphological dependence of the resultant iron nanostructures on the kinetic parameters such as reactant concentration, reaction temperature, external fields as well as reaction time, etc., a novel conceivable formation mechanism of the iron nanoplatelets was substantiated to be a self-assembly of concentrated iron nuclei induced by the synergistic effect of both a magnetic field and a shear field. Due to the amorphous nature and shape anisotropy, the as-synthesized iron nanoplatelets exhibit quite different magnetic properties with an enhanced coercivity of >220 Oe from isotropic iron nanoparticles. In the oxidation of cyclohexane with hydrogen peroxide as a 'green' oxidant, the as-obtained amorphous iron nanoplatelets show a conversion more than 84% and a complete selectivity for cyclohexanol and cyclohexanone due to the unique structure. Moreover, their catalytic performances are strongly influenced by their morphology, and the iron atoms located on the faces tend to catalyze the formation of cyclohexanol while those on the sides tend to catalyze the formation of cyclohexanone. The external composite field-induced solution synthesis reported here can be readily explored for fabricating other 2D magnetic nanoplatelets, and the resulting iron nanoplatelets are promising for a number of applications such as high efficient selective catalysis, energy, environment fields and so forth.

  4. Magneto-optical and catalytic properties of Fe3O4@HA@Ag magnetic nanocomposite

    Science.gov (United States)

    Amir, Md.; Güner, S.; Yıldız, A.; Baykal, A.

    2017-01-01

    Fe3O4@HA@Ag magnetic nanocomposites (MNCs) were successfully synthesized by the simple reflux method for the removal of azo dyes from the industrial aqueous media. Fe3O4@HA@AgMNCs exhibited high catalytic activity to reduce MB within 20 min from the waste water. The obtained materials were characterized by the means of different techniques. Powder X-ray diffraction (XRD) analysis confirmed the single-phase of Fe3O4 spinel structure. SEM and TEM analysis indicated that Fe3O4@HA@AgMNCs were nanoparticles like structure with small agglomeration. TG result showed that the products contained 9% of HA. The characteristic peaks of HA at 1601 cm-1 and 1703 cm-1 was observed by the means of FT-IR spectra of Fe3O4@HA@AgMNCs. The hysteresis (σ-H) curves revealed Fe3O4@HA@Ag MNCs exhibit a typical superparamagnetic characteristic with a saturation magnetization of 59.11 emu/g and measured magnetic moment is 2.45 μB. The average magnetic particle dimension (Dmag) is 13.25 nm. In accordance, the average crystallite and particle dimensions were obtained as 11.50 nm and 13.10 nm from XRD and TEM measurements, respectively. Magnetocrystalline anisotropy was offered as uniaxial and calculated effective anisotropy constant (Keff) is 2.96×105 Erg/g. The blocking temperature was estimated as 522 K. The size-dependent saturation magnetization suggests the existence of a magnetically dead layer as 0.793 nm for Fe3O4@HA@Ag MNCs. The UV-vis diffuse reflectance spectroscopy (DRS) and Kubelka-Munk theory were applied to determine the optical properties of powder samples. The direct optical energy band gap (Eg) values were estimated from Tauc plots between 1.62 eV and 2.12 eV.

  5. Catalytic properties of inositol trisphosphate kinase: activation by Ca2+ and calmodulin

    International Nuclear Information System (INIS)

    Ryu, S.H.; Lee, S.Y.; Lee, K.Y.; Rhee, S.G.

    1987-01-01

    Inositol 1,4,5-triphosphate (Ins-1,4,5-P 3 ) is an important second-messenger molecule that mobilizes Ca 2+ from intracellular stores in response to the occupancy of receptor by various Ca 2+ -mobilizing agonists. The fate of Ins-1,4,5-P 3 is determined by two enzymes, a 3-kinase and a 5-phosphomonoesterase. The first enzyme converts Ins-1,4,5-P 3 to Ins-1,3,4,5-P 4 , whereas the latter forms Ins-1,4-P 2 . Recent studies suggest that Ins-1,3,4,5-P 4 might modulate the entry of Ca 2+ from an extracellular source. In the current report, the authors describe the partial purification of the 3-kinase from the cytosolic fraction of bovine brain and studies of its catalytic properties. They found that the 3-kinase activity is significantly activated by the Ca 2+ /calmodulin complex. Therefore, they propose that Ca 2+ mobilized from endoplasmic reticulum by the action of Ins-1,4,5-P 3 forms a complex with calmodulin, and that the Ca 2+ /calmodulin complex stimulates the conversion of Ins-1,4,5-P 3 , and intracellular Ca 2+ mobilizer, to Ins-1,3,4,5-P 4 , an extracellular Ca 2+ mobilizer. A rapid assay method for the 3-kinase was developed that is based on the separation of [3- 32 P]Ins-1,3,4,5-P 4 and [γ- 32 P]ATP by thin-layer chromatography. Using this new assay method, they evaluated kinetic parameters (K/sub m/ for ATP = 40 μM, K/sub m/ for Ins-1,4,5-P 3 = 0.7 μM, K/sub i/ for ADP = 12 μM) and divalent cation specificity (Mg 2+ > > Mn 2+ > Ca 2+ ) for the 3-kinase

  6. Biosynthesis of palladium nanoparticles by using Moringa oleifera flower extract and their catalytic and biological properties.

    Science.gov (United States)

    Anand, K; Tiloke, C; Phulukdaree, A; Ranjan, B; Chuturgoon, A; Singh, S; Gengan, R M

    2016-12-01

    The biosynthesis of nanostructured biopalladium nanoparticles (PdNPs) from an aqueous solution of crystalline palladium acetate is reported. For the synthesised PdNPs in solution, an agroforest biomass waste petal of Moringa oleifera derived bis-phthalate was used as natural reducing and biocapping agents. Continuous absorption in the UV region and subsequent brown colour change confirmed the formation of PdNPs. A strong surface plasmon peak for PdNPs occurred at 460nm. PdNPs were characterized by SEM with EDX, FTIR, TEM and DLS. The chemical composition of the aqueous extract was determined by GC-MS coupled with FTIR and 1 NMR. The catalytic degradation effect by PdNPs on industrial organic toxic effluents p-nitrophenol (PNP) and methylene blue dye was monitored by UV Spectroscopy. On the other hand PdNPs catalysed the base mediated suzuki coupling reaction for biphenyl synthesis, in water. Moreover, PdNPs were found to be reusable catalysts. Toxicity studies of PdNPs showed that the death of brine shrimp to be <50%. Therefore, PdNPs displayed potential for further anticancer studies via tumour cell lines. The in vitro cytotoxicity evaluation of the extract capped nanoparticles was carried out using human lung carcinoma cells (A549) and peripheral lymphocytes normal cells by MTT cell viability assay. Also, PdNPs showed antibacterial activity against Enterococcus faecalis among the different tested strains, including Bacillus cereus, Staphylococcus aureus, Esherichia coli and Candida albicans, Candida utilis. Copyright © 2016 Elsevier B.V. All rights reserved.

  7. Oxides Surfaces and Novel Electronic Properties

    Science.gov (United States)

    Koirala, Pratik

    The scope of this thesis extends to the study of surface structures and electronic properties in a number of complex oxides. The c(6x2) surface reconstruction on SrTiO3 (001) was solved using a combination of plan view transmission electron microscopy imaging, atomic resolution secondary electron imaging, and density functional theory calculations. This work provided fundamental insights on the effects of dielectric screening in secondary electron generation. A thorough analysis on the limitation and functionality of transmission plan view imaging showed that the kinematical approximations used in the separation of top and bottom surfaces is only valid in thin samples (˜5 nm or less for SrTiO3). The presence of an inversion center in the surface structure also made separation of the top and bottom surfaces more robust. Surface studies of two other oxides, KTaO3 and NdGaO3, provided understanding on the mechanism of surface heterogeneity and segregation. In the case of KTaO3, selective ion sputtering and the loss of K resulted in large stoichiometric variations at the surface. Annealing of such samples led to the formation of a potassium deficient tetragonal phase (K 6Ta10.8O30) on the surface. A similar phenomenon was also observed in NdGaO3. Exploratory surface studies of the rare earth scandates (ReScO3 , Re = Gd, Tb, Dy) led to the observation of large flexoelectric bending inside an electron microscope. Thin rods of these scandates bent by up to 90 degree under a focused electron beam; the bending was fully reversible. Ex-situ measurements of flexoelectric coe cient performed by an- other graduate student, Christopher Mizzi, confirmed that the scandates have a large flexocoupling voltage (˜42 V). Electronic structure of the lanthanide scandates was studied using temperature depen- dent X-ray photoelectron spectroscopy and hybrid density functional theory calculations. The amount of charging under X-ray illumination was greatly reduced with increasing

  8. The effectiveness of radiant catalytic ionization in inactivation of Listeria monocytogenes planktonic and biofilm cells from food and food contact surfaces as a method of food preservation.

    Science.gov (United States)

    Skowron, Krzysztof; Grudlewska, Katarzyna; Krawczyk, Agnieszka; Gospodarek-Komkowska, Eugenia

    2018-02-02

    The aim of the study was to evaluate the microbicidal effectiveness of Radiant Catalytic Ionization (RCI) against L. monocytogenes strains in the form of planktonic cells and biofilm on food products and food contact surfaces as a method of food preservation. The study material comprised six strains of L. monocytogenes, isolated from food. Samples of different types of food available by retail (raw carrot, frozen salmon filets, soft cheese) and the fragments of surfaces (stainless steel AISI 304, rubber, milled rock tiles, polypropylene) were used in the experiment. The obtained results showed the effectiveness of RCI in the inactivation of both forms of the tested L. monocytogenes strains on all the surfaces. The effectiveness of RCI for biofilm forms was lower as compared with planktonic forms. The PRR value ranged from 18,19% to 99,97% for planktonic form and from 3,92% to 70,10% for biofilm. The RCI phenomenon induces the inactivation of L. monocytogenes on surfaces of food and materials used in the processing industry to a varying degree, depending on the manner of surface contamination, the properties of the contaminated materials as well as on the origin of the strain and the properties of surrounding dispersive environment in which the microorganisms were suspended. Searching of new actions aimed at reduction of the microbial contamination of food and food contact surfaces are extremely important. RCI method has been already described as an effective technique of microbial and abiotic pollution removal from air. However, our studies provide new, additional data related to evaluation the RCI efficacy against microbes on different surfaces, both in planktonic and biofilm form. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  9. Cage-bell Pt-Pd nanostructures with enhanced catalytic properties and superior methanol tolerance for oxygen reduction reaction

    Science.gov (United States)

    Chen, Dong; Ye, Feng; Liu, Hui; Yang, Jun

    2016-04-01

    Precisely tailoring the structure and fully making use of the components of nanoparticles are effective to enhance their catalytic performance for a given reaction. We herein demonstrate the design of cage-bell structured Pt-Pd nanoparticles, where a Pd shell is deliberately selected to enhance the catalytic property and methanol tolerance of Pt for oxygen reduction reaction. This strategy starts with the synthesis of core-shell Pt@Ag nanoparticles, followed by galvanic replacement reaction between the Ag shell and Pd2+ ions to form core-shell-shell Pt@Ag@Ag-Pd nanoparticles with a Pt core and double shells composed of Ag at inner and alloy Ag-Pd at outer, respectively. Then, the core-shell-shell templates are agitated with saturated NaCl solution to eliminate the Ag component from the double shells, leading to the formation of bimetallic Pt-Pd nanoparticles with a cage-bell structure, defined as a movable Pt core enclosed by a porous Pd shell, which show enhanced catalytic activity for oxygen reduction compared with that of the Pt seeds due to the additional catalysis from Pd shell. In addition, owing to the different diffusion behavior of methanol and oxygen molecules in the porous Pd shell, the Pt-Pd cage-bell nanostructures also exhibit superior methanol tolerant property in catalyzing the oxygen reduction.

  10. Bimetallic Rh-Fe catalysts for N2O decomposition: effects of surface structures on catalytic activity.

    Science.gov (United States)

    Chen, Hao; Lu, Qinghua; Yi, Chunhai; Yang, Bolun; Qi, Suitao

    2018-02-14

    Well-homogenized RhFe alloy nanoparticles and core-shell structured Fe@Rh nanoparticles were highly dispersed on SBA-15 and then applied to N 2 O catalytic conversion. Compared to RhFe/SBA-15, Fe@Rh/SBA-15 showed a higher catalytic activity for N 2 O decomposition. This is because the Rh layers covering the Fe core were able to protect against oxidization and so Fe@Rh/SBA-15 was prevented from deactivating. DFT calculations were performed to study the reaction mechanism of N 2 O decomposition. The rate-determining step, which was found to be the formation of O 2 from adsorbed oxygen atoms on the surfaces of RhFe and Fe@Rh, revealed that O atoms prefer to be adsorbed on exposed Fe atoms on the surface of RhFe rather than that of Fe@Rh. The calculation results indicate that the exposed Fe atoms tend to be oxidized on the surface of RhFe, resulting in the deactivation of RhFe/SBA-15 during the experiment.

  11. Enhanced catalytic and dopamine sensing properties of electrochemically reduced conducting polymer nanocomposite doped with pure graphene oxide.

    Science.gov (United States)

    Wang, Wenting; Xu, Guiyun; Cui, Xinyan Tracy; Sheng, Ge; Luo, Xiliang

    2014-08-15

    Significantly enhanced catalytic activity of a nanocomposite composed of conducting polymer poly (3,4-ethylenedioxythiophene) (PEDOT) doped with graphene oxide (GO) was achieved through a simple electrochemical reduction process. The nanocomposite (PEDOT/GO) was electrodeposited on an electrode and followed by electrochemical reduction, and the obtained reduced nanocomposite (PEDOT/RGO) modified electrode exhibited lowered electrochemical impedance and excellent electrocatalytic activity towards the oxidation of dopamine. Based on the excellent catalytic property of PEDOT/RGO, an electrochemical sensor capable of sensitive and selective detection of DA was developed. The fabricated sensor can detect DA in a wide linear range from 0.1 to 175μM, with a detection limit of 39nM, and it is free from common interferences such as uric acid and ascorbic acid. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Hydrodynamic slip length as a surface property

    Science.gov (United States)

    Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

    2016-02-01

    Equilibrium and nonequilibrium molecular dynamics simulations were conducted in order to evaluate the hypothesis that the hydrodynamic slip length is a surface property. The system under investigation was water confined between two graphite layers to form nanochannels of different sizes (3-8 nm). The water-carbon interaction potential was calibrated by matching wettability experiments of graphitic-carbon surfaces free of airborne hydrocarbon contamination. Three equilibrium theories were used to calculate the hydrodynamic slip length. It was found that one of the recently reported equilibrium theories for the calculation of the slip length featured confinement effects, while the others resulted in calculations significantly hindered by the large margin of error observed between independent simulations. The hydrodynamic slip length was found to be channel-size independent using equilibrium calculations, i.e., suggesting a consistency with the definition of a surface property, for 5-nm channels and larger. The analysis of the individual trajectories of liquid particles revealed that the reason for observing confinement effects in 3-nm nanochannels is the high mobility of the bulk particles. Nonequilibrium calculations were not consistently affected by size but by noisiness in the smallest systems.

  13. Surface properties of copper based cermet materials

    International Nuclear Information System (INIS)

    Voinea, M.; Vladuta, C.; Bogatu, C.; Duta, A.

    2008-01-01

    The paper presents the characterization of the surface properties of copper based cermets obtained by two different techniques: spray pyrolysis deposition (SPD) and electrodeposition. Copper acetate was used as precursor of Cu/CuO x cermet. The surface morphology was tailored by adding copolymers of maleic anhydride with controlled hydrophobia. The films morphology of Cu/CuO x was assessed using contact angle measurements and AFM analysis. The porous structures obtained via SPD lead to higher liquid adsorption rate than the electrodeposited films. A highly polar liquid - water is recommended as testing liquid in contact angle measurements, for estimating the porosity of copper based cermets, while glycerol can be used to distinguish among ionic and metal predominant structures. Thus, contact angle measurements can be used for a primary evaluation of the films morphology and, on the other hand, of the ratio between the cermet components

  14. Surface properties of copper based cermet materials

    Energy Technology Data Exchange (ETDEWEB)

    Voinea, M. [The Centre: Product Design for Sustainable Development, Transilvania University of Brasov, Eroilor 29, 500036 (Romania)], E-mail: m.voinea@unitbv.ro; Vladuta, C.; Bogatu, C.; Duta, A. [The Centre: Product Design for Sustainable Development, Transilvania University of Brasov, Eroilor 29, 500036 (Romania)

    2008-08-25

    The paper presents the characterization of the surface properties of copper based cermets obtained by two different techniques: spray pyrolysis deposition (SPD) and electrodeposition. Copper acetate was used as precursor of Cu/CuO{sub x} cermet. The surface morphology was tailored by adding copolymers of maleic anhydride with controlled hydrophobia. The films morphology of Cu/CuO{sub x} was assessed using contact angle measurements and AFM analysis. The porous structures obtained via SPD lead to higher liquid adsorption rate than the electrodeposited films. A highly polar liquid - water is recommended as testing liquid in contact angle measurements, for estimating the porosity of copper based cermets, while glycerol can be used to distinguish among ionic and metal predominant structures. Thus, contact angle measurements can be used for a primary evaluation of the films morphology and, on the other hand, of the ratio between the cermet components.

  15. Catalytic hydrolysis of COS over CeO{sub 2} (110) surface: A density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Song, Xin; Ning, Ping [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500 (China); Wang, Chi [Faculty of Chemical Engineering, Kunming University of Science and Technology, Kunming 650500 (China); Li, Kai, E-mail: likaikmust@163.com [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500 (China); Tang, Lihong; Sun, Xin [Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, Kunming 650500 (China)

    2017-08-31

    Graphical abstract: CeO{sub 2} decreases the maximum energy barrier by 76.15 kcal/mol. H{sub 2}O plays a role as a bridge in the process of joint adsorption. Catalytic effect of CeO{sub 2} in the hydrolysis of COS is mainly reflected on the C−O channel. - Highlights: • H{sub 2}O is easier adsorbed on the CeO{sub 2} (110) surface than COS. • When COS and H{sub 2}O jointly adsorb on the CeO{sub 2} (110) surface, the H{sub 2}O molecule plays a role as a bridge. • Ce−O−H bond can enhance the adsorption effect. • Catalytic effect of CeO{sub 2} in the hydrolysis of COS is mainly reflected on the C−O channel. - Abstract: Density functional theory (DFT) calculations were performed to investigate the reaction pathways for catalytic hydrolysis of COS over CeO{sub 2} (110) surface using Dmol{sup 3} model. The thermodynamic stability analysis for the suggested routes of COS hydrolysis to CO{sub 2} and H{sub 2}S was evaluated. The absolute values of adsorption energy of H{sub 2}O-CeO{sub 2} are higher than that of COS-CeO{sub 2}. Meanwhile, the adsorption energy and geometries show that H{sub 2}O is easier adsorbed on the surface of CeO{sub 2} (110) than COS. H{sub 2}O plays a role as a bridge in the process of joint adsorption. H{sub 2}O forms more Ce−O−H groups on the CeO{sub 2} (110) surface. CeO{sub 2} decreases the maximum energy barrier by 76.15 kcal/mol. The migration of H from H{sub 2}O to COS is the key for the hydrolysis reaction. C−O channel is easier to occur than C−S channel. Experimental result shows that adding of CeO{sub 2} can increase COS removal rate and prolong the 100% COS removal rate from 180 min to 210 min. The difference between Fe{sub 2}O{sub 3} and CeO{sub 2} for the hydrolysis of COS is characterized in the atomic charge transfer and the formation of H−O bond and H−S bond. The transfer effect of H in H{sub 2}O to S in COS over CeO{sub 2} decreases the energy barriers of hydrolysis reaction, and enhances the reaction

  16. Catalytic Properties of Alumina-Supported Ruthenium, Platinum, and Cobalt Nanoparticles towards the Oxidation of Cyclohexane to Cyclohexanol and Cyclohexanone

    Directory of Open Access Journals (Sweden)

    Ilhem Rekkab-Hammoumraoui

    2018-01-01

    Full Text Available A series of metal-loaded (Ru, Pt, Co alumina catalysts were evaluated for the catalytic oxidation of cyclohexane using tertbutylhydroperoxide (TBHP as oxidant and acetonitrile or acetic acid as solvent. These materials were prepared by the impregnation method and then characterized by Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES, H2 chemisorption, Fourier Transformed Infrared Spectroscopy (FTIR, High-Resolution Transmission Electron Microscopy (HRTEM, and X-ray Diffraction (XRD. All the prepared materials acted as efficient catalysts. Among them, Ru/Al2O3 was found to have the best catalytic activity with enhanced cyclohexane conversion of 36 %, selectivity to cyclohexanol and cyclohexanone of 96 % (57.6 mmol, and cyclohexane turnover frequency (TOF of 288 h-1. Copyright © 2018 BCREC Group. All rights reserved Received: 26th May 2017; Revised: 17th July 2017; Accepted: 18th July 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018 How to Cite: Rekkab-Hammoumraoui, I., Choukchou-Braham, A. (2018. Catalytic Properties of Alumina-Supported Ruthenium, Platinum, and Cobalt Nanoparticles towards the Oxidation of Cyclohexane to Cyclohexanol and Cyclohexanone. Bulletin of Chemical Reaction Engineering & Catalysis, 13(1: 24-36 (doi:10.9767/bcrec.13.1.1226.24-35

  17. The decomposition of mixed oxide Ag2Cu2O3: Structural features and the catalytic properties in CO and C2H4 oxidation

    Science.gov (United States)

    Svintsitskiy, Dmitry A.; Kardash, Tatyana Yu.; Slavinskaya, Elena M.; Stonkus, Olga A.; Koscheev, Sergei V.; Boronin, Andrei I.

    2018-01-01

    The mixed silver-copper oxide Ag2Cu2O3 with a paramelaconite crystal structure is a promising material for catalytic applications. The as-prepared sample of Ag2Cu2O3 consisted of brick-like particles extended along the [001] direction. A combination of physicochemical techniques such as TEM, XPS and XRD was applied to investigate the structural features of this mixed silver-copper oxide. The thermal stability of Ag2Cu2O3 was investigated using in situ XRD under different reaction conditions, including a catalytic CO + O2 mixture. The first step of Ag2Cu2O3 decomposition was accompanied by the appearance of ensembles consisting of silver nanoparticles with sizes of 5-15 nm. Silver nanoparticles were strongly oriented to each other and to the surface of the initial Ag2Cu2O3 bricks. Based on the XRD data, it was shown that the release of silver occurred along the a and b axes of the paramelaconite structure. Partial decomposition of Ag2Cu2O3 accompanied by the formation of silver nanoparticles was observed during prolonged air storage under ambient conditions. The high reactivity is discussed as a reason for spontaneous decomposition during Ag2Cu2O3 storage. The full decomposition of the mixed oxide into metallic silver and copper (II) oxide took place at temperatures higher than 300 °C regardless of the nature of the reaction medium (helium, air, CO + O2). Catalytic properties of partially and fully decomposed samples of mixed silver-copper oxide were measured in low-temperature CO oxidation and C2H4 epoxidation reactions.

  18. Surface kinetics for catalytic combustion of hydrogen-air mixtures on platinum at atmospheric pressure in stagnation flows

    Science.gov (United States)

    Ikeda, H.; Sato, J.; Williams, F. A.

    1995-03-01

    Experimental studies of the combustion of premixed hydrogen-air mixtures impinging on the surface of a heated platinum plate at normal atmospheric pressure were performed and employed to draw inferences concerning surface reaction mechanisms and rate parameters applicable under practical conditions of catalytic combustion. Plate and gas temperatures were measured by thermocouples, and concentration profiles of major stable species in the gas were measured by gas-chromatographic analyses of samples withdrawn by quartz probes. In addition, ignition and extinction phenomena were recorded and interpreted with the aid of a heat balance at the surface and a previous flow-field analysis of the stagnation-point boundary layer. From the experimental and theoretical results, conclusions were drawn concerning the surface chemical-kinetic mechanisms and values of the elementary rate parameters that are consistent with the observations. In particular, the activation energy for the surface oxidation step H + OH → H 2O is found to be appreciably less at these high surface coverages than in the low-coverage limit.

  19. Catalytic properties of nickel ferrites for oxidation of glucose, β-nicotiamide adenine dinucleotide (NADH) and methanol

    Energy Technology Data Exchange (ETDEWEB)

    Galindo, R. [Departamento de Química, Universidad de Guanajuato, Cerro de la Venada s/n, Pueblito de Rocha, C.P. 36040 Guanajuato, Gto (Mexico); Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco s/n, C.P. 28049 Madrid (Spain); Gutiérrez, S. [Departamento de Química, Universidad de Guanajuato, Cerro de la Venada s/n, Pueblito de Rocha, C.P. 36040 Guanajuato, Gto (Mexico); Menéndez, N. [Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco s/n, C.P. 28049 Madrid (Spain); Herrasti, P., E-mail: pilar.herrasti@uam.es [Departamento de Química Física Aplicada, Universidad Autónoma de Madrid, Cantoblanco s/n, C.P. 28049 Madrid (Spain)

    2014-02-15

    Highlights: ► NiFe{sub 2}O{sub 4} nanoparticles obtained by electrochemical method are effective catalyst. ► A partially inverse spinel was obtained with 57% Fe{sup 3+} in tetrahedral position. ► A non-enzymatic electrode using NiFe{sub 2}O{sub 4} nanoparticles has been manufactured. -- Abstract: Nickel ferrite nanoparticles (NiFe{sub 2}O{sub 4}) were synthesized by electrochemical method and used as catalyst for direct oxidation of glucose, NADH and methanol. Characterization of these nanoparticles was carried out by X-ray diffraction, Mössbauer spectroscopy, and colloidal properties such as hydrodynamic radius and Zeta potential. To evaluate the catalytic properties of these nanoparticles against the oxidation process, paste graphite electrodes mixing nickel ferrites and different conductive materials (graphite, carbon nanotubes) and binders agents (mineral oil, 1-octylpyridinium hexafluorophosphate (nOPPF6)) were used. The results prove good catalytic properties of these materials, with an oxidation potential around 0.75, 0.5 and 0.8 V for glucose, NADH, and methanol, respectively.

  20. Physicochemical properties of concentrated Martian surface waters

    Science.gov (United States)

    Tosca, Nicholas J.; McLennan, Scott M.; Lamb, Michael P.; Grotzinger, John P.

    2011-05-01

    Understanding the processes controlling chemical sedimentation is an important step in deciphering paleoclimatic conditions from the rock records preserved on both Earth and Mars. Clear evidence for subaqueous sedimentation at Meridiani Planum, widespread saline mineral deposits in the Valles Marineris region, and the possible role of saline waters in forming recent geomorphologic features all underscore the need to understand the physical properties of highly concentrated solutions on Mars in addition to, and as a function of, their distinct chemistry. Using thermodynamic models predicting saline mineral solubility, we generate likely brine compositions ranging from bicarbonate-dominated to sulfate-dominated and predict their saline mineralogy. For each brine composition, we then estimate a number of thermal, transport, and colligative properties using established models that have been developed for highly concentrated multicomponent electrolyte solutions. The available experimental data and theoretical models that allow estimation of these physicochemical properties encompass, for the most part, much of the anticipated variation in chemistry for likely Martian brines. These estimates allow significant progress in building a detailed analysis of physical sedimentation at the ancient Martian surface and allow more accurate predictions of thermal behavior and the diffusive transport of matter through chemically distinct solutions under comparatively nonstandard conditions.

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

    DEFF Research Database (Denmark)

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

    2010-01-01

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

  2. Pressure effects on catalytic properties and structural stability of human paraoxonase

    Energy Technology Data Exchange (ETDEWEB)

    Clery-Barraud, C; Leva, J; Bakdouri, N E; Renault, F; Masson, P; Rochu, D [Departement de Toxicologie, Centre de Recherches du Service de Sante des Armees, BP 87, 38702 La Tronche cedex (France)], E-mail: cclerybarraud@crssa.net

    2008-07-15

    Human paraoxonase (HuPON1) is a candidate as catalytic bioscavenger for pre-treatment and therapy of poisoning by organophosphate compounds. HuPON1 is a hydrophobic protein associated with a partner, the human phosphate binding protein (HPBP) in plasma high density lipoproteins. The relationship between the composition and the size of multimeric states of HuPON1 is not well understood. Moreover the effect of HPBP's presence on enzyme catalytic mechanisms and stability is unclear. We investigated the effect of hydrostatic pressure and temperature on structural stability and activity of different PON1 preparations (hybrid recombinant PON1, natural HuPON1 free of its partner or in the presence of 50% w/w HPBP). We showed that PON1 exists under several multimeric forms and that the binding of HPBP amends the size of the hetero-oligomeric states and exerts a stabilizing effect on the activity of PON1.

  3. Pressure effects on catalytic properties and structural stability of human paraoxonase

    Science.gov (United States)

    Cléry-Barraud, C.; Leva, J.; Bakdouri, N. E.; Renault, F.; Masson, P.; Rochu, D.

    2008-07-01

    Human paraoxonase (HuPON1) is a candidate as catalytic bioscavenger for pre-treatment and therapy of poisoning by organophosphate compounds. HuPON1 is a hydrophobic protein associated with a partner, the human phosphate binding protein (HPBP) in plasma high density lipoproteins. The relationship between the composition and the size of multimeric states of HuPON1 is not well understood. Moreover the effect of HPBP's presence on enzyme catalytic mechanisms and stability is unclear. We investigated the effect of hydrostatic pressure and temperature on structural stability and activity of different PON1 preparations (hybrid recombinant PON1, natural HuPON1 free of its partner or in the presence of 50% w/w HPBP). We showed that PON1 exists under several multimeric forms and that the binding of HPBP amends the size of the hetero-oligomeric states and exerts a stabilizing effect on the activity of PON1.

  4. Pulsed-field gradient nuclear magnetic resonance study of transport properties of fluid catalytic cracking catalysts

    Czech Academy of Sciences Publication Activity Database

    Kortunov, P.; Vasenkov, S.; Kärger, J.; Fé Elía, M.; Perez, M.; Stöcker, M.; Papadopoulos, G. K.; Theodorou, D.; Drescher, B.; McElhiney, G.; Bernauer, B.; Krystl, V.; Kočiřík, Milan; Zikánová, Arlette; Jirglová, Hana; Berger, C.; Gläser, R.; Weitkamp, J.; Hansen, E. W.

    2005-01-01

    Roč. 23, č. 2 (2005), s. 233-237 ISSN 0730-725X Grant - others:TROCAT project - European Community(DE) G5RD-CT-2001-00520 Institutional research plan: CEZ:AV0Z40400503 Keywords : pulsed-field gradient * nuclear magnetic resonance * fluid catalytic cracking catalyst Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.361, year: 2005

  5. Self-organized nanocrack networks: a pathway to enlarge catalytic surface area in sputtered ceramic thin films, showcased for photocatalytic TiO2

    Science.gov (United States)

    Henkel, B.; Vahl, A.; Aktas, O. C.; Strunskus, T.; Faupel, F.

    2018-01-01

    Sputter deposited photocatalytic thin films offer high adherence and mechanical stability, but typically are outperformed in their photocatalytic properties by colloidal TiO2 nanostructures, which in turn typically suffer from problematic removal. Here we report on thermally controlled nanocrack formation as a feasible and batch applicable approach to enhance the photocatalytic performance of well adhering, reactively sputtered TiO2 thin films. Networks of nanoscopic cracks were induced into tailored columnar TiO2 thin films by thermal annealing. These deep trenches are separating small bundles of TiO2 columns, adding their flanks to the overall catalytically active surface area. The variation of thin film thickness reveals a critical layer thickness for initial nanocrack network formation, which was found to be about 400 nm in case of TiO2. The columnar morphology of the as deposited TiO2 layer with weak bonds between respective columns and with strong bonds to the substrate is of crucial importance for the formation of nanocrack networks. A beneficial effect of nanocracking on the photocatalytic performance was experimentally observed. It was correlated by a simple geometric model for explaining the positive impact of the crack induced enlargement of active surface area on photocatalytic efficiency. The presented method of nanocrack network formation is principally not limited to TiO2 and is therefore seen as a promising candidate for utilizing increased surface area by controlled crack formation in ceramic thin films in general.

  6. Synthesis and photo-catalytic property of TiO2 nanotube arrays/ZnS

    Science.gov (United States)

    Kong, Junhan; Liu, Zhe; Xiong, Yehan; Liu, Zhanhong; Wang, Yongqian

    2017-04-01

    TiO2 nanotube arrays/ZnS (TNAs/ZnS) nanocomposites were synthesized successfully via anodic oxidation method and hydrothermal method as well. In this study, field emission scanning electron microscopy equipped with energy-dispersive spectroscopy (EDS) was used to monitor the morphological features and elemental composition of the samples. UV-Vis absorption spectra showed the absorption performance in both UV and visible light regions. In addition, the photo-catalytic activity of the samples was measured by the photo-degradation rate of methylene blue. From the result, we could notice that the morphology of the samples would change gradually when the amounts of zinc source and sulfur source changed, and the hydrothermal temperature was one of the significant factors which influenced the morphology. EDS spectra showed the existence of zinc and sulfur elements. Photo-catalytic activity test indicated that the photo-degradation rate of MB rises up to 91.6% after 240 min. Furthermore, there existed an expected relationship between the photo-degradation rate and the amounts of zinc source and sulfur source. UV-Vis absorption spectra of the samples also verified the result of photo-catalytic activity test.

  7. Surface Characteristics and Catalytic Activity of Copper Deposited Porous Silicon Powder

    Directory of Open Access Journals (Sweden)

    Muhammad Yusri Abdul Halim

    2014-12-01

    Full Text Available Porous structured silicon or porous silicon (PS powder was prepared by chemical etching of silicon powder in an etchant solution of HF: HNO3: H2O (1:3:5 v/v. An immersion time of 4 min was sufficient for depositing Cu metal from an aqueous solution of CuSO4 in the presence of HF. Scanning electron microscopy (SEM analysis revealed that the Cu particles aggregated upon an increase in metal content from 3.3 wt% to 9.8 wt%. H2-temperature programmed reduction (H2-TPR profiles reveal that re-oxidation of the Cu particles occurs after deposition. Furthermore, the profiles denote the existence of various sizes of Cu metal on the PS. The Cu-PS powders show excellent catalytic reduction on the p-nitrophenol regardless of the Cu loadings.

  8. Hydrogenation-controlled phase transition on two-dimensional transition metal dichalcogenides and their unique physical and catalytic properties

    Science.gov (United States)

    Qu, Yuanju; Pan, Hui; Kwok, Chi Tat

    2016-01-01

    Two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely used from nanodevices to energy harvesting/storage because of their tunable physical and chemical properties. In this work, we systematically investigate the effects of hydrogenation on the structural, electronic, magnetic, and catalytic properties of 33 TMDs based on first-principles calculations. We find that the stable phases of TMD monolayers can transit from 1T to 2H phase or vice versa upon the hydrogenation. We show that the hydrogenation can switch their magnetic and electronic states accompanying with the phase transition. The hydrogenation can tune the magnetic states of TMDs among non-, ferro, para-, and antiferro-magnetism and their electronic states among semiconductor, metal, and half-metal. We further show that, out of 33 TMD monolayers, 2H-TiS2 has impressive catalytic ability comparable to Pt in hydrogen evolution reaction in a wide range of hydrogen coverages. Our findings would shed the light on the multi-functional applications of TMDs. PMID:27686869

  9. Magnetic properties of Martian surface material

    Science.gov (United States)

    Hargraves, R. B.

    1984-01-01

    The hypothesis that the magnetic properties of the Martian surface material are due to the production of a magnetic phase in the clay mineral nontronite by transient shock heating is examined. In the course of the investigation a magnetic material is produced with rather unusual properties. Heating from 900 C to 1000 C, of natural samples of nontronite leads first to the production of what appears to be Si doped maghemite gamma (-Fe2O3). Although apparently metastable, the growth of gamma -Fe2O3 at these temprtures is unexpected, and its relative persistence of several hours at 1000 C is most surprising. Continued annealing of this material for longer periods promote the crystallization of alpha Fe2O3 and cristobalite (high temperature polymorph of SiO2). All available data correlate this new magnetic material with the cristobalite hence our naming it magnetic ferri cristobalite. Formation of this magnetic cristobalite, however, may require topotactic growth from a smectite precursor.

  10. Preparation, characterization and catalytic properties of nickel aluminate nanoparticles: A comparison between conventional and microwave method

    Directory of Open Access Journals (Sweden)

    C. Ragupathi

    2017-01-01

    Full Text Available In the present work, synthesis of nickel aluminate using Opuntia dilenii haw as plant extract by a microwave combustion method (MCM and its comparison with the conventional combustion method (CCM is investigated. O. dilenii haw plant extract simplifies the process, provides an alternative process for a simple and an economical synthesis. The absence of surfactant has led to a simple, cheap and fast method of synthesis of NiAl2O4 nanoparticles. The as-synthesized NiAl2O4 nanoparticles were characterized by X-ray diffraction (XRD studies, Fourier transform infrared spectroscopy (FT-IR studies, high resolution scanning electron microscopy (HR-SEM, energy dispersive X-ray analysis (EDX, high resolution transmission electron microscopy (HR-TEM, diffuses reflectance spectroscopy (DRS, and Brunauer Emmett Teller (BET surface area analysis. The XRD results confirmed the formation of the cubic phase NiAl2O4. The formation of pure nickel aluminate phase was confirmed by FT-IR. The formation of NiAl2O4 nanoparticles was confirmed by HR-SEM and HR-TEM and their possible formation mechanisms were also proposed. MCM could produce NiAl2O4 with uniform size and well-defined shape with crystallinity. The optical property was determined by DRS. NiAl2O4 prepared by the microwave combustion method was found to possess a higher surface area, lower crystallite size than the NiAl2O4 nanoparticles prepared by the conventional combustion method, which in turn has led to the improved performance toward the selective oxidation of benzyl alcohol to benzaldehyde.

  11. Tunable catalytic properties of bi-functional mixed oxides in ethanol conversion to high value compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Smith, Colin D.; Wang, Yong

    2016-04-10

    tA highly versatile ethanol conversion process to selectively generate high value compounds is pre-sented here. By changing the reaction temperature, ethanol can be selectively converted to >C2alcohols/oxygenates or phenolic compounds over hydrotalcite derived bi-functional MgO–Al2O3cata-lyst via complex cascade mechanism. Reaction temperature plays a role in whether aldol condensationor the acetone formation is the path taken in changing the product composition. This article containsthe catalytic activity comparison between the mono-functional and physical mixture counterpart to thehydrotalcite derived mixed oxides and the detailed discussion on the reaction mechanisms.

  12. Catalytic Properties of 3D Graphene-Like Microporous Carbons Synthesized in a Zeolite Template

    Czech Academy of Sciences Publication Activity Database

    Sazama, Petr; Pastvová, Jana; Rizescu, C.; Tirsoaga, A.; Parvulescu, V. I.; Garcia, H.; Kobera, Libor; Seidel, J.; Rathouský, Jiří; Klein, Petr; Jirka, Ivan; Morávková, Jaroslava; Blechta, Václav

    2018-01-01

    Roč. 8, č. 3 (2018), s. 1779-1789 ISSN 2155-5435 R&D Projects: GA ČR GA15-12113S; GA MŠk(CZ) LM2015073 Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:61389013 Keywords : catalytic hydrogenation * zeolite-templated carbon * 3D graphene-like microporous carbons Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 10.614, year: 2016

  13. Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions.

    Science.gov (United States)

    Dybeck, Eric C; Plaisance, Craig P; Neurock, Matthew

    2017-04-11

    A novel algorithm is presented that achieves temporal acceleration during kinetic Monte Carlo (KMC) simulations of surface catalytic processes. This algorithm allows for the direct simulation of reaction networks containing kinetic processes occurring on vastly disparate time scales which computationally overburden standard KMC methods. Previously developed methods for temporal acceleration in KMC were designed for specific systems and often require a priori information from the user such as identifying the fast and slow processes. In the approach presented herein, quasi-equilibrated processes are identified automatically based on previous executions of the forward and reverse reactions. Temporal acceleration is achieved by automatically scaling the intrinsic rate constants of the quasi-equilibrated processes, bringing their rates closer to the time scales of the slow kinetically relevant nonequilibrated processes. All reactions are still simulated directly, although with modified rate constants. Abrupt changes in the underlying dynamics of the reaction network are identified during the simulation, and the reaction rate constants are rescaled accordingly. The algorithm was utilized here to model the Fischer-Tropsch synthesis reaction over ruthenium nanoparticles. This reaction network has multiple time-scale-disparate processes which would be intractable to simulate without the aid of temporal acceleration. The accelerated simulations are found to give reaction rates and selectivities indistinguishable from those calculated by an equivalent mean-field kinetic model. The computational savings of the algorithm can span many orders of magnitude in realistic systems, and the computational cost is not limited by the magnitude of the time scale disparity in the system processes. Furthermore, the algorithm has been designed in a generic fashion and can easily be applied to other surface catalytic processes of interest.

  14. Analysis of Catalytic Material Effect on the Photovoltaic Properties of Monolithic Dye-sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Natalita Maulani Nursam

    2017-12-01

    Full Text Available Dye-sensitized solar cells (DSSC are widely developed due to their attractive appearance and simple fabrication processes. One of the challenges that arise in the DSSC fabrication involves high material cost associated with the cost of conductive substrate. DSSC with monolithic configuration was then developed on the basis of this motivation. In this contribution, titanium dioxide-based monolithic type DSSCs were fabricated on a single fluorine-doped transparent oxide coated glass using porous ZrO2 as spacer. Herein, the catalytic material for the counter-electrode was varied using carbon composite and platinum in order to analyze their effect on the solar cell efficiency. Four-point probe measurement revealed that the carbon composite exhibited slightly higher conductivity with a sheet resistance of 9.8 Ω/sq and 10.9 Ω/sq for carbon and platinum, respectively. Likewise, the photoconversion efficiency of the monolithic cells with carbon counter-electrode almost doubled the efficiency of the cells with platinum counter-electrode. Our results demonstrate that carbon could outperform the performance of platinum as catalytic material in monolithic DSSC.

  15. Catalytic and recyclability properties of phytogenic copper oxide nanoparticles derived from Aglaia elaeagnoidea flower extract

    Directory of Open Access Journals (Sweden)

    G. Manjari

    2017-07-01

    Full Text Available The phytogenic synthesis method to highly active, recoverable and recyclable heterogeneous copper oxide nanocatalyst and encapsulated within biomaterial that acts as a nontoxic and renewable source of reducing and stabilizing agent. The biosynthesized CuO NPs were characterized using UV–Vis absorption spectroscopy, X-ray diffraction (XRD, field emission scanning electron microscopy (FESEM, energy dispersive X-ray spectroscopy (EDX, transmission electron microscopy (TEM and thermo gravimetric analysis-differential scanning calorimetry (TGA–DSC, techniques. The formation of CuO NPs with the size 20–45 nm range is shown in TEM image. Significantly, in aqueous phase CuO NPs have high catalytic activity for the reduction of Congo red (CR, methylene blue (MB and 4-nitrophenol (4-NP in the presence of the sodium borohydride (NaBH4 at room temperature. In addition, CuO NPs catalyst can be easily recovered by centrifugation and reused for 6 cycles with more than 90% conversion efficiency. CuO nanocatalyst, leaching after catalytic application was investigated by ICPAES (Inductively coupled plasma atomic emission spectroscopy. CuO NPs possess great prospects in reduction of pernicious dyes and nitro organic pollutants in water.

  16. Auto-combustion synthesis, Mössbauer study and catalytic properties of copper-manganese ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Velinov, N., E-mail: nikivelinov@ic.bas.bg; Petrova, T. [Institute of Catalysis, Bulgarian Academy of Sciences (Bulgaria); Tsoncheva, T.; Genova, I. [Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences (Bulgaria); Koleva, K. [Institute of Catalysis, Bulgarian Academy of Sciences (Bulgaria); Kovacheva, D. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences (Bulgaria); Mitov, I. [Institute of Catalysis, Bulgarian Academy of Sciences (Bulgaria)

    2016-12-15

    Spinel ferrites with nominal composition Cu {sub 0.5}Mn {sub 0.5}Fe {sub 2}O{sub 4} and different distribution of the ions are obtained by auto-combustion method. Mössbauer spectroscopy, X-ray Diffraction, Thermogravimetry-Differential Scanning Calorimetry, Scanning Electron Microscopy and catalytic test in the reaction of methanol decomposition is used for characterization of synthesized materials. The spectral results evidence that the phase composition, microstructure of the synthesized materials and the cation distribution depend on the preparation conditions. Varying the pH of the initial solution microstructure, ferrite crystallite size, cation oxidation state and distribution of ions in the in the spinel structure could be controlled. The catalytic behaviour of ferrites in the reaction of methanol decomposition also depends on the pH of the initial solution. Reduction transformations of mixed ferrites accompanied with the formation of Hägg carbide χ-Fe {sub 5}C{sub 2} were observed by the influence of the reaction medium.

  17. Peroxidases from root exudates of Medicago sativa and Sorghum bicolor: Catalytic properties and involvement in PAH degradation.

    Science.gov (United States)

    Dubrovskaya, Ekaterina; Pozdnyakova, Natalia; Golubev, Sergey; Muratova, Anna; Grinev, Vyacheslav; Bondarenkova, Anastasiya; Turkovskaya, Olga

    2017-02-01

    Peroxidases from root exudates of sorghum (Sorghum bicolor L. Moench) and alfalfa (Medicago sativa L.) were purified and characterized, and their ability to oxidize native PAHs and PAH-derivatives was evaluated. The obtained data confirm that peroxidases are involved in the rhizosphere degradation of PAHs. Nondenaturing PAGE showed that the peroxidases of both plants were represented by a range of isoforms/isoenzymes (five to eight). Minor forms were lost during further purification, and as a result, the major anionic form from alfalfa root exudates and the major cationic form from those of sorghum were obtained. Both electrophoretically homogeneous peroxidases were monomeric proteins with a molecular weight of about 46-48 kDa. The pH optima and the main catalytic constants for the test substrates were determined. On the basis of their molecular and catalytic properties, the obtained enzymes were found to be typical plant peroxidases. Derivatives of PAHs and potential products of their microbial degradation (9-phenanthrol and 9,10-phenanthrenequinone), unlike the parent PAH (phenanthrene), inhibited the catalytic activity of the peroxidases, possibly indicating greater availability of the enzymes' active centers to these substances. Peroxidase-catalyzed decreases in the concentrations of a number of PAHs and their derivatives were observed. Sorghum peroxidase oxidized anthracene and phenanthrene, while alfalfa peroxidase oxidized only phenanthrene. 1-Hydroxy-2-naphthoic acid was best oxidized by peroxidase of alfalfa. However, quinone derivatives of PAHs were unavailable to sorghum peroxidase, but were oxidized by alfalfa peroxidase. These results indicate that the major peroxidases from root exudates of alfalfa and sorghum can have a role in the rhizosphere degradation of PAHs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Generation of catalytic antibodies is an intrinsic property of an individual’s immune system: a study on a large cohort of renal transplant patients

    Science.gov (United States)

    Mahendra, Ankit; Peyron, Ivan; Thaunat, Olivier; Dollinger, Cécile; Gilardin, Laurent; Sharma, Meenu; Wootla, Bharath; Rao, Desirazu N.; Padiolleau-Lefevre, Séverine; Boquet, Didier; More, Abhijit; Varadarajan, Navin; Kaveri, Srinivas V; Legendre, Christophe; Lacroix-Desmazes, Sébastien

    2016-01-01

    Renal transplant is the treatment of choice for patients with terminal end-stage renal disease. We have previously identified low levels of catalytic IgG as a potential prognosis marker for chronic allograft rejection. The origin and physiopathological relevance of catalytic antibodies is not well understood owing to the fact that catalytic antibodies have been studied in relatively small cohorts of patients with rare diseases and/or without systematic follow-up. In the present study, we have followed the evolution of the levels of catalytic IgG in a large cohort of renal transplant patients over a 2-year period. Our results demonstrate that, prior to transplant, patients with renal failure present with heterogeneous levels of IgG hydrolyzing the generic PFR-MCA substrate. PFR-MCA hydrolysis was greater for patients’ IgG than for a therapeutic preparation of pooled IgG from healthy donors. Renal transplant was marked by a drastic decrease in levels of catalytic IgG over three months followed by a steady increase during the next 21 months. Patients who displayed high levels of catalytic IgG pre-transplant recovered high levels of catalytic antibodies 2 years post-transplant. Interestingly, IgG-mediated hydrolysis of a model protein substrate, pro-coagulant factor VIII, did not correlate with that of PFR-MCA prior transplantation, while it did 12 months post-transplant. Taken together, our results suggest that the level of circulating catalytic IgG under pathological conditions is an intrinsic property of each individual’s immune system, and that recovery of pre-transplant levels of catalytic IgG is accompanied by changes in the repertoire of target antigens. PMID:27067006

  19. Catalytic water dissociation by greigite Fe3S4 surfaces: density functional theory study

    Science.gov (United States)

    Roldan, A.; de Leeuw, N. H.

    2016-01-01

    The iron sulfide mineral greigite, Fe3S4, has shown promising capability as a hydrogenating catalyst, in particular in the reduction of carbon dioxide to produce small organic molecules under mild conditions. We employed density functional theory calculations to investigate the {001},{011} and {111} surfaces of this iron thiospinel material, as well as the production of hydrogen ad-atoms from the dissociation of water molecules on the surfaces. We systematically analysed the adsorption geometries and the electronic structure of both bare and hydroxylated surfaces. The sulfide surfaces presented a higher flexibility than the isomorphic oxide magnetite, Fe3O4, allowing perpendicular movement of the cations above or below the top atomic sulfur layer. We considered both molecular and dissociative water adsorption processes, and have shown that molecular adsorption is the predominant state on these surfaces from both a thermodynamic and kinetic point of view. We considered a second molecule of water which stabilizes the system mainly by H-bonds, although the dissociation process remains thermodynamically unfavourable. We noted, however, synergistic adsorption effects on the Fe3S4{001} owing to the presence of hydroxyl groups. We concluded that, in contrast to Fe3O4, molecular adsorption of water is clearly preferred on greigite surfaces. PMID:27274698

  20. Site-specific growth of Au-Pd alloy horns on Au nanorods: A platform for highly sensitive monitoring of catalytic reactions by surface enhancement raman spectroscopy

    KAUST Repository

    Huang, Jianfeng

    2013-06-12

    Surface-enhanced Raman scattering (SERS) is a highly sensitive probe for molecular detection. The aim of this study was to develop an efficient platform for investigating the kinetics of catalytic reactions with SERS. To achieve this, we synthesized a novel Au-Pd bimetallic nanostructure (HIF-AuNR@AuPd) through site-specific epitaxial growth of Au-Pd alloy horns as catalytic sites at the ends of Au nanorods. Using high-resolution electron microscopy and tomography, we successfully reconstructed the complex three-dimensional morphology of HIF-AuNR@AuPd and identified that the horns are bound with high-index {11l} (0.25 < l < 0.43) facets. With an electron beam probe, we visualized the distribution of surface plasmon over the HIF-AuNR@AuPd nanorods, finding that strong longitudinal surface plasmon resonance concentrated at the rod ends. This unique crystal morphology led to the coupling of high catalytic activity with a strong SERS effect at the rod ends, making HIF-AuNR@AuPd an excellent bifunctional platform for in situ monitoring of surface catalytic reactions. Using the hydrogenation of 4-nitrothiophenol as a model reaction, we demonstrated that its first-order reaction kinetics could be accurately determined from this platform. Moreover, we clearly identified the superior catalytic activity of the rod ends relative to that of the rod bodies, owing to the different SERS activities at the two positions. In comparison with other reported Au-Pd bimetallic nanostructures, HIF-AuNR@AuPd offered both higher catalytic activity and greater detection sensitivity. © 2013 American Chemical Society.

  1. A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shujun; Peng, Qingpo [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Chen, Xuenian, E-mail: xnchen@htu.edu.cn [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Wang, Ruoya; Zhai, Jianxin; Hu, Weihua [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Ma, Fengji, E-mail: fengji.ma@yahoo.com [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang, Henan 453000 (China); Zhang, Jie, E-mail: jie.zhang@htu.edu.cn [School of Chemistry and Chemical Engineering, Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, Henan 453007 (China); Liu, Shuxia [Key Laboratory of Polyoxometalates Science of Ministry of Education, College of Chemistry, Northeast Normal University, Changchun City, Jilin 130024 (China)

    2016-11-15

    A new HPAs H{sub 20}[P{sub 8}W{sub 60}Ta{sub 12}(H{sub 2}O){sub 4}(OH){sub 8}O{sub 236}]·125H{sub 2}O (H-1) which comprises a Ta/W mixed addenda heteropolyanion, 20 protons, and 125 crystalline water molecules has been prepared through ion-exchange method. The structure and properties of H-1 have been explored in detail. AC impedance measurements indicate that H-1 is a good solid state proton conducting material at room temperature with a conductivity value of 7.2×10{sup −3} S cm{sup −1} (25 °C, 30% RH). Cyclic voltammograms of H-1 indicate the electrocatalytic activity towards the reduction of nitrite. Hammett acidity constant H{sub 0} of H-1 in CH{sub 3}CN is −2.91, which is the strongest among the present known HPAs. Relatively, H-1 exhibits excellent catalytic activities toward acetal reaction. - Highlights: • A Ta/W mixed addenda Heteropolyacid (H-1) was isolated. • Hammett acidity constant H{sub 0} of H-1 is the strongest among the present known HPAs. • H-1 exhibits excellent catalytic activities toward acetal reaction. • H-1 is a good solid state proton conducting material at room temperature.

  2. Structural, optical, and catalytic properties of undoped and CdS doped CuO-ZnO nanoparticles

    Science.gov (United States)

    Younas, Naeem; Farrukh, Muhammad Akhyar; Ali, Shaista; Ditta, Maryam Allah; Adnan, Rohana

    2017-11-01

    The structural, optical and catalytic properties of undoped (CuO-ZnO) and CdS doped CuO-ZnO (CdS/CuO-ZnO) nanoparticles were studied. The blue shifting of optical band gap in CuO-ZnO nanoparticles as compared to their respective bulk oxides (CuO: 1.21-1.5 eV, ZnO: 3.37 eV) was observed as 3.9 eV, while red shifting after doping of CdS was found from 3.9 to 3.7 eV. The angle of diffraction and FWHM values were used to observe crystallite phase and to calculate crystallite size (using Scherer and Williamson-Hall equations) and other parameters like strain, dislocation density and bond length of nanoparticles. The particle size of CuO-ZnO and CdS/CuO-ZnO nanoparticles using transmission electron microscopy (TEM) was found 12.54 and 6.93 nm, respectively. It was concluded that decrease in particle size cause red shifting which increase the catalytic efficiency of nanoparticles.

  3. Production and Catalytic Properties of Amylases from Lichtheimia ramosa and Thermoascus aurantiacus by Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Ana Paula Aguero de Oliveira

    2016-01-01

    Full Text Available The present study compared the production and the catalytic properties of amylolytic enzymes obtained from the fungi Lichtheimia ramosa (mesophilic and Thermoascus aurantiacus (thermophilic. The highest amylase production in both fungi was observed in wheat bran supplemented with nutrient solution (pH 4.0 after 96 hours of cultivation, reaching 417.2 U/g of dry substrate (or 41.72 U/mL and 144.5 U/g of dry substrate (or 14.45 U/mL for L. ramosa and T. aurantiacus, respectively. The enzymes showed higher catalytic activity at pH 6.0 at 60°C. The amylases produced by L. ramosa and T. aurantiacus were stable between pH 3.5–10.5 and pH 4.5–9.5, respectively. The amylase of L. ramosa was stable at 55°C after 1 hour of incubation, whereas that of T. aurantiacus maintained 60% of its original activity under the same conditions. Both enzymes were active in the presence of ethanol. The enzymes hydrolyzed starch from different sources, with the best results obtained with corn starch. The enzymatic complex produced by L. ramosa showed dextrinizing and saccharifying potential. The enzymatic extract produced by the fungus T. aurantiacus presented only saccharifying potential, releasing glucose monomers as the main hydrolysis product.

  4. Catalytic Properties of Amylolytic Enzymes Produced by Gongronella butleri Using Agroindustrial Residues on Solid-State Fermentation

    Directory of Open Access Journals (Sweden)

    Gabriéla Finoto Cavalheiro

    2017-01-01

    Full Text Available Amylases catalyze the hydrolysis of starch, a vegetable polysaccharide abundant in nature. These enzymes can be utilized in the production of syrups, alcohol, detergent, pharmaceutical products, and animal feed formulations. The aim of this study was to optimize the production of amylases by the filamentous fungus Gongronella butleri by solid-state fermentation and to evaluate the catalytic properties of the obtained enzymatic extract. The highest amylase production, 63.25 U g−1 (or 6.32 U mL−1, was obtained by culturing the fungus in wheat bran with 55% of initial moisture, cultivated for 96 h at 25°C. The enzyme presented optimum activity at pH 5.0 and 55°C. The amylase produced was stable in a wide pH range (3.5–9.5 and maintained its catalytic activity for 1 h at 40°C. Furthermore, the enzymatic extract hydrolyzed starches from different vegetable sources, presenting predominant dextrinizing activity for all substrates evaluated. However, the presence of glucose was observed in a higher concentration during hydrolysis of corn starch, indicating the synergistic action of endo- and exoamylases, which enables the application of this enzymatic extract to produce syrups from different starch sources.

  5. Catalytic Properties of Amylolytic Enzymes Produced by Gongronella butleri Using Agroindustrial Residues on Solid-State Fermentation

    Science.gov (United States)

    Cavalheiro, Gabriéla Finoto; Sanguine, Isadora Stranieri; Santos, Flávia Regina da Silva; da Costa, Ana Carolina; Fernandes, Matheus; da Paz, Marcelo Fossa; Fonseca, Gustavo Graciano

    2017-01-01

    Amylases catalyze the hydrolysis of starch, a vegetable polysaccharide abundant in nature. These enzymes can be utilized in the production of syrups, alcohol, detergent, pharmaceutical products, and animal feed formulations. The aim of this study was to optimize the production of amylases by the filamentous fungus Gongronella butleri by solid-state fermentation and to evaluate the catalytic properties of the obtained enzymatic extract. The highest amylase production, 63.25 U g−1 (or 6.32 U mL−1), was obtained by culturing the fungus in wheat bran with 55% of initial moisture, cultivated for 96 h at 25°C. The enzyme presented optimum activity at pH 5.0 and 55°C. The amylase produced was stable in a wide pH range (3.5–9.5) and maintained its catalytic activity for 1 h at 40°C. Furthermore, the enzymatic extract hydrolyzed starches from different vegetable sources, presenting predominant dextrinizing activity for all substrates evaluated. However, the presence of glucose was observed in a higher concentration during hydrolysis of corn starch, indicating the synergistic action of endo- and exoamylases, which enables the application of this enzymatic extract to produce syrups from different starch sources. PMID:29376074

  6. Catalytic Properties of Amylolytic Enzymes Produced byGongronella butleriUsing Agroindustrial Residues on Solid-State Fermentation.

    Science.gov (United States)

    Cavalheiro, Gabriéla Finoto; Sanguine, Isadora Stranieri; Santos, Flávia Regina da Silva; da Costa, Ana Carolina; Fernandes, Matheus; da Paz, Marcelo Fossa; Fonseca, Gustavo Graciano; Leite, Rodrigo Simões Ribeiro

    2017-01-01

    Amylases catalyze the hydrolysis of starch, a vegetable polysaccharide abundant in nature. These enzymes can be utilized in the production of syrups, alcohol, detergent, pharmaceutical products, and animal feed formulations. The aim of this study was to optimize the production of amylases by the filamentous fungus Gongronella butleri by solid-state fermentation and to evaluate the catalytic properties of the obtained enzymatic extract. The highest amylase production, 63.25 U g -1 (or 6.32 U mL -1 ), was obtained by culturing the fungus in wheat bran with 55% of initial moisture, cultivated for 96 h at 25°C. The enzyme presented optimum activity at pH 5.0 and 55°C. The amylase produced was stable in a wide pH range (3.5-9.5) and maintained its catalytic activity for 1 h at 40°C. Furthermore, the enzymatic extract hydrolyzed starches from different vegetable sources, presenting predominant dextrinizing activity for all substrates evaluated. However, the presence of glucose was observed in a higher concentration during hydrolysis of corn starch, indicating the synergistic action of endo- and exoamylases, which enables the application of this enzymatic extract to produce syrups from different starch sources.

  7. Tuning the redox properties of Co-N4 macrocyclic complexes for the catalytic electrooxidation of glucose

    Energy Technology Data Exchange (ETDEWEB)

    Villagra, Evelyn [Facultad de Quimica y Biologia, Departamento de Quimica de los Materiales, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile); Bedioui, Fethi [Laboratoire de Pharmacologie Chimique et Genetique, UMR CNRS 8151/U INSERM 640, Ecole Nationale Superieure de Chimie de Paris, 11 rue Pierre et Marie Curie, 75231 Paris cedex 05 (France); Nyokong, Tebello [Department of Chemistry, Rhodes University, Grahamstown (South Africa); Canales, J. Carlos; Sancy, Mamie; Paez, Maritza A.; Costamagna, Juan [Facultad de Quimica y Biologia, Departamento de Quimica de los Materiales, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile); Zagal, Jose H. [Facultad de Quimica y Biologia, Departamento de Quimica de los Materiales, Universidad de Santiago de Chile (USACH), Casilla 40, Correo 33, Santiago (Chile)], E-mail: jzagal@lauca.usach.cl

    2008-05-30

    Graphite electrodes modified with four different cobalt N4 macrocyclics, namely Co tetrapentapyridinophthalocyanine, (CoTPenPyrPc), Co tetrapyridinoporphyrazine (CoTPyPz), Co octa(hydroxyethylthio)phthalocyanine (CoOEHTPc) and Co tetranitrophthalocyanine (CoTNPc) exhibit catalytic activity for the oxidation of glucose in alkaline media. The purpose of this work is to establish correlations between the catalytic activity of these complexes and their redox potential. The activity of the different modified electrodes was tested by linear voltammetry under hydrodynamic conditions using the rotating disk technique. Tafel plots constructed from mass-transport corrected currents give slopes ranging from 0.080 to 0.160 V/decade for the different catalysts which suggests that a first one-electron step is rate controlling with the symmetry of the energy barrier depending on the nature of the ligand of the Co complex. A plot of log I versus the Co(II)/(I) formal potential gives a volcano curve that also includes catalysts studied previously. This illustrates the concept that the formal potential of the catalyst needs to be tuned to a certain value for achieving maximum activity. A theoretical interpretation of these results is given in terms of Langmuir isotherms for the adsorption of glucose on the Co sites of the surface-confined metal complexes.

  8. Probing Anisotropic Surface Properties and Surface Forces of Fluorite Crystals.

    Science.gov (United States)

    Gao, Zhiyong; Xie, Lei; Cui, Xin; Hu, Yuehua; Sun, Wei; Zeng, Hongbo

    2018-02-20

    Fluorite is the most important mineral source for producing fluorine-based chemicals and materials in a wide range of engineering and technological applications. In this work, atomic force microscopy was employed, for the first time, to probe the surface interactions and adhesion energy of model oleic acid (a commonly used surface modification organics for fluorite) molecules on fluorite surfaces with different orientations in both air and aqueous solutions at different pH conditions. Fitted with the Derjaguin-Landau-Verwey-Overbeek theory, the force results during surface approaching demonstrate the anisotropy in the surface charge of different orientations, with the {111} surface exhibiting a higher magnitude of surface charge, which could be attributed to the difference in the atomic composition. The adhesion measured during surface retraction shows that model oleic acid molecules have a stronger adhesion with the {100} surface than with the {111} surface in both air and aqueous solutions. The anisotropic adhesion energy was analyzed in relation to the surface atom (especially calcium) activity, which was supported by the surface free energy results calculated based on a three-probe-liquid method. Each calcium atom on the {100} surface with four dangling bonds is more active than the calcium atom on the {111} surface with only one dangling bond, supported by a larger value of the Lewis acid component for the {100} surface. The model oleic acid molecules present in the ionic form at pH 9 exhibit a higher adhesion energy with fluorite surfaces as compared to their molecular form at pH 6, which was related to the surface activity of different forms. The adhesion energy measured in solution is much lower than that in air, indicating that the solvent exerts an important influence on the interactions of organic molecules with mineral surfaces. The results provide useful information on the fundamental understanding of surface interactions and adhesion energy of organic

  9. Determining Surface Material Properties Using Satellite Imaging

    Science.gov (United States)

    Gloudeman, C.; Gerace, A. D.

    2017-12-01

    Knowledge of soil moisture content is necessary for drought monitoring, crop irrigation, and water runoff. Remote sensing techniques provide a more efficient alternative to traditional field measurements for determining soil moisture content. Thermal infrared sensors from Landsat, MODIS Aqua & Terra, and AVHRR MetOp A & B satellites were used to find thermal inertia, which is highly correlated with soil moisture. A diurnal cycle is converted from band effective radiance to Land Surface Temperature (LST) using Planck's Law for blackbody radiation and a modified split-window algorithm. The THERM model for finding expected LST is then used to determine the material properties. A second approach was used to calculate apparent thermal inertia and soil moisture content from day/ night pairs of LST. For this method, only the MODIS Aqua LST product was used.To this end, we have observed clear differences in moisture between areas of vegetation and sand and between different crop fields. Our results indicate that matching the observed data with the THERM model could be improved with increased satellite measurements.

  10. Catalytic properties of mycelium-bound lipases from Aspergillus niger MYA 135.

    Science.gov (United States)

    Romero, Cintia M; Baigori, Mario D; Pera, Licia M

    2007-09-01

    A constitutive level of a mycelium-bound lipolytic activity from Aspergillus niger MYA 135 was strongly increased by 97% in medium supplemented with 2% olive oil. The constitutive lipase showed an optimal activity in the pH range of 3.0-6.5, while the mycelium-bound lipase activity produced in the presence of olive oil had two pH optima at pH 4 and 7. Interestingly, both lipolytic sources were cold-active showing high catalytic activities in the temperature range of 4-8 degrees C. These mycelium-bound lipase activities were also very stable in reaction mixtures containing methanol and ethanol. In fact, the constitutive lipase maintained almost 100% of its activity after exposure by 1 h at 37 degrees C in ethanol. A simple methodology to evaluate suitable transesterification activities in organic solvents was also reported.

  11. Ceramic membranes for catalytic membrane reactors with high ionic conductivities and low expansion properties

    Science.gov (United States)

    Mackay, Richard; Sammells, Anthony F.

    2000-01-01

    Ceramics of the composition: Ln.sub.x Sr.sub.2-x-y Ca.sub.y B.sub.z M.sub.2-z O.sub.5+.delta. where Ln is an element selected from the fblock lanthanide elements and yttrium or mixtures thereof; B is an element selected from Al, Ga, In or mixtures thereof; M is a d-block transition element of mixtures thereof; 0.01.ltoreq.x.ltoreq.1.0; 0.01.ltoreq.y.ltoreq.0.7; 0.01.ltoreq.z.ltoreq.1.0 and .delta. is a number that varies to maintain charge neutrality are provided. These ceramics are useful in ceramic membranes and exhibit high ionic conductivity, high chemical stability under catalytic membrane reactor conditions and low coefficients of expansion. The materials of the invention are particularly useful in producing synthesis gas.

  12. Synthesis and catalytic properties of a heterogeneous palladium-polymer complex

    Energy Technology Data Exchange (ETDEWEB)

    Rasadkina, E.N.; Rozhdestvenskaya, I.D.

    1978-05-01

    By reacting a copolymer of 2-dimethylamino-1-butyl methacrylate and ethylene dimethacrylate (10:6 weight ratio) with an aqueous ethanol solution of potassium palladochloride at 25/sup 0/C and 19% Pd-polymer weight ratio, a cross-linked polymeric complex with 4-15% Pd was obtained, containing a coordinationally unsaturated nitrogen atom in a side chain and one chlorine ion per gram-atom of palladium; it was thermally stable up to > 400/sup 0/C and insoluble in organic solvents. In contrast to the previously studied palladium-polyamide complex, this complex showed high catalytic activities in hydrogenation at ambient conditions of unsaturated carboxylic acids and their esters, unsaturated hydrocarbons, Schiff bases, and aromatic nitrocompounds dissolved in polar solvents, including selective hydrogenation of dienes to monoolefins.

  13. Cério: propriedades catalíticas, aplicações tecnológicas e ambientais Cerium: catalytic properties, technological and environmental applications

    Directory of Open Access Journals (Sweden)

    Tereza S. Martins

    2007-01-01

    Full Text Available Cerium based-compounds have great importance in a wide range of technological applications, such as: fuel cell devices development; metallurgic processes, petroleum refining; glass and ceramic production. Recently, its catalytic properties have been also explored for environmental applications, especially those to prevent or to control atmospheric and water pollution. Subjects covered in this work include a brief description of the fundaments of cerium catalytic properties and some relevant technological applications. Special attention is given to its photocatalytic activity and its ability to degrade pollutants. Recent results and future prospect about these applications are also evaluated.

  14. Uniform nanoparticles building Ce1- x Pr x O2-δ mesoarchitectures: structure, morphology, surface chemistry, and catalytic performance

    Science.gov (United States)

    Somacescu, Simona; Parvulescu, Viorica; Calderon-Moreno, Jose Maria; Suh, Soong-Hyuck; Osiceanu, Petre; Su, Bao-Lian

    2012-06-01

    Ce1- x Pr x O2-δ ( x = 0, 0.1, 0.5, 0.9) mesoarchitectures built from nanoparticles with crystalline framework have been synthesized by the self-assembly method assisted by surfactants and hydrothermal treatment. Cetyltrimethylammonium bromide (CTAB) was used as template, urea as hydrolyzing agent and tetraethylammonium hydroxide (TEAOH) as pH mediator to obtain pH 9. The inorganic precursors have been co-assembled with surfactant template to produce mesoarchitectures which have uniform pore size distribution, crystalline channel walls, high thermal stability, and high catalytic activity in the oxidation reaction of methane. The resulting powders, calcined at 550 °C, were characterized by X-ray diffraction (XRD), Raman spectroscopy, N2 adsorption/desorption isotherms (BET), thermogravimetric analysis (TG-DTG), scanning and transmission electron microscopy (SEM, TEM, and HRTEM), and X-ray photoelectron spectroscopy (XPS). The as-synthesized mesoporous nanoparticles are single-phase fluorite Ce1- x Pr x O2-δ solid solution without additional Ce- or Pr-based oxides, or secondary phases with different lattice symmetry or stoichiometry. A clear morphology of dispersed nanoparticles, with uniform grain size between 5 and 7 nm, and mean pore size around 5 nm, have been observed. The specific surface area of the as-synthesized mesoporous samples after calcination at 550 °C remains in the range 60-150 m2 g-1. All the spectroscopic methods clearly confirm the homogeneous incorporation of Pr into the CeO2 lattice of the nanocrystallites, to form a single-phase solid solution with fluorite structure, modifying the absorption spectra of the nanocrystallites. All the samples showed high catalytic activity in the oxidation reactions of methane.

  15. A review of recent advances on the effects of microstructural refinement and nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Varin, R. A.; Zbroniec, L. [University of Waterloo, Department of Mechanical and Mechatronics Engineering, Waterloo, Ontario (Canada); Polanski, M.; Bystrzycki, J. [Faculty of Advanced Technology and Chemistry, Military University of Technology, Warsaw (Poland)

    2011-07-01

    The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Waterloo (Canada) and Military University of Technology (Warsaw, Poland) are critically reviewed in this paper. The research results indicate that microstructural refinement (particle and grain size) induced by ball milling influences quite modestly the hydrogen storage properties of simple metal and complex metal hydrides. On the other hand, the addition of nanometric elemental metals acting as potent catalysts and/or metal halide catalytic precursors brings about profound improvements in the hydrogen absorption/desorption kinetics for simple metal and complex metal hydrides alike. In general, catalytic precursors react with the hydride matrix forming a metal salt and free nanometric or amorphous elemental metals/intermetallics which, in turn, act catalytically. However, these catalysts change only kinetic properties i.e. the hydrogen absorption/desorption rate but they do not change thermodynamics (e.g., enthalpy change of hydrogen sorption reactions). It is shown that a complex metal hydride, LiAlH{sub 4}, after high energy ball milling with a nanometric Ni metal catalyst and/or MnCl{sub 2} catalytic precursor, is able to desorb relatively large quantities of hydrogen at room temperature, 40 and 80 {sup o}C. This kind of behavior is very encouraging for the future development of solid state hydrogen systems. (authors)

  16. Preparation of MgO Catalytic Support in Shaped Mesoporous High Surface Area Form

    Czech Academy of Sciences Publication Activity Database

    Gulková, Daniela; Šolcová, Olga; Zdražil, Miroslav

    2004-01-01

    Roč. 76, 1-3 (2004), s. 137-149 ISSN 1387-1811 R&D Projects: GA AV ČR IAA4072306 Institutional research plan: CEZ:AV0Z4072921 Keywords : MgO support * sigh Surface area * texture Subject RIV: CC - Organic Chemistry Impact factor: 2.093, year: 2004

  17. Catalytic properties and acidity of modified MCM-41 mesoporous materials with low Si/Al ratio: heptane isomerisation

    Directory of Open Access Journals (Sweden)

    Ahmed Belhakem

    2006-06-01

    Full Text Available The catalytic properties and acidity of modified MCM-41 with a low Si/Al ratio and 0-95% NH4+ exchange were investigated. The samples were characterised by X-ray diffraction, scanning and transmission electron microscopy, and nitrogen adsorption. The acidity was studied by pyridine adsorption, temperature programmed desorption (TPD of ammonia, and infrared (IR spectroscopy. Adsorption of pyridine and IR spectroscopy indicated various types of Lewis and Brönsted acid sites. The density distribution of acid sites was determined by TPD. Both Lewis and Brönsted acid sites were found to be active in the heptane isomerisation. The presence of aluminium (low Si/Al combined to the ionic exchange between Na+ and NH4+ increases the acidity of MCM-41 materials. A close correlation between acidity and isomerisation was observed. Coke deposition, which reduces the activity, was also studied.

  18. ZnO nanoparticles obtained by ball milling technique: Structural, micro-structure, optical and photo-catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Balamurugan, S., E-mail: scandium.chemistry@gmail.com; Joy, Josny; Godwin, M. Anto; Selvamani, S.; Raja, T. S. Gokul [Advanced Nanomaterials Research Laboratory, Department of Nanotechnology, Noorul Islam Centre for Higher Education, Thuckalay, Kumaracoil - 629 180 (India)

    2016-05-23

    The ZnO nanoparticles were obtained by ball milling of commercial grade ZnO powder at 250 rpm for 20 h and studied their structural, micro-structure, optical and photo-catalytic properties. Due to ball milling significant decrease in lattice parameters and average crystalline size is noticed for the as-milled ZnO nano powder. The HRSEM images of the as-milled powder consist of agglomerated fine spherical nanoparticles in the range of ~10-20 nm. The room temperature PL spectrum of as-milled ZnO nano powder excited under 320 nm reveals two emission bands at ~406 nm (violet emission) and ~639 nm (green emission). Interestingly about 98 % of photo degradation of methylene (MB) by the ZnO catalyst is achieved at 100 minutes of solar light irradiation.

  19. A Ta/W mixed addenda heteropolyacid with excellent acid catalytic activity and proton-conducting property

    Science.gov (United States)

    Li, Shujun; Peng, Qingpo; Chen, Xuenian; Wang, Ruoya; Zhai, Jianxin; Hu, Weihua; Ma, Fengji; Zhang, Jie; Liu, Shuxia

    2016-11-01

    A new HPAs H20[P8W60Ta12(H2O)4(OH)8O236]·125H2O (H-1) which comprises a Ta/W mixed addenda heteropolyanion, 20 protons, and 125 crystalline water molecules has been prepared through ion-exchange method. The structure and properties of H-1 have been explored in detail. AC impedance measurements indicate that H-1 is a good solid state proton conducting material at room temperature with a conductivity value of 7.2×10-3 S cm-1 (25 °C, 30% RH). Cyclic voltammograms of H-1 indicate the electrocatalytic activity towards the reduction of nitrite. Hammett acidity constant H0 of H-1 in CH3CN is -2.91, which is the strongest among the present known HPAs. Relatively, H-1 exhibits excellent catalytic activities toward acetal reaction.

  20. A facile route to controlled synthesis of Co3O4 nanoparticles and their environmental catalytic properties

    International Nuclear Information System (INIS)

    Dong Yuming; He Kun; Yin Lin; Zhang Aimin

    2007-01-01

    Using ammonia and Co(CH 3 COO) 2 ·4H 2 O as starting materials, a facile and surfactant-free route to controlled synthesis of Co 3 O 4 nanoparticles was proposed. Co 3 O 4 nanoparticles with average sizes of 3.5, 6, 11, 19 and 70 nm were obtained through adjusting the ethanol amount in the solvent (the ratio of ethanol to water) or the concentration of raw materials. In this process, the presence of enough O 2 was crucial for the formation of pure Co 3 O 4 phase. The environmental catalytic properties of as-obtained Co 3 O 4 nanoparticles were investigated. The results indicated their remarkable catalysis for ozonation degradation of phenol, which denoted a promising application as catalyst in waste-water treatment

  1. Surface chemical-modification for engineering the intrinsic physical properties of inorganic two-dimensional nanomaterials.

    Science.gov (United States)

    Guo, Yuqiao; Xu, Kun; Wu, Changzheng; Zhao, Jiyin; Xie, Yi

    2015-02-07

    Two-dimensional (2D) nanomaterials, especially the inorganic ultrathin nanosheets with single or few-atomic layers, have been extensively studied due to their special structures and rich physical properties coming from the quantum confinement of electrons. With atomic-scale thickness, 2D nanomaterials have an extremely high specific surface area enabling their surface phase to be as important as bulk counterparts, and therefore provide an alternative way of modifying the surface phase for engineering the intrinsic physical properties of inorganic 2D nanomaterials. In this review, we focus on recent research concerning surface chemical modification strategies to effectively engineer the intrinsic physical properties of inorganic 2D nanomaterials. We highlight the newly developed regulation strategies of surface incorporation, defect engineering, and structure modulation of inorganic 2D nanomaterials, which respectively influence the intrinsic conductivity, band structure, and magnetism while maintaining the primary 2D freestanding structures that are vital for 2D based ultrasensitive electronic response, enhanced catalytic and magnetocaloric capabilities.

  2. Acidic 1,3-propanediaminetetraacetato lanthanides with luminescent and catalytic ester hydrolysis properties

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Mao-Long; Shi, Yan-Ru; Yang, Yu-Chen; Zhou, Zhao-Hui, E-mail: zhzhou@xmu.edu.cn

    2014-11-15

    In acidic solution, a serials of water-soluble coordination polymers (CPs) were isolated as zonal 1D-CPs 1,3-propanediaminetetraacetato lanthanides [Ln(1,3-H{sub 3}pdta)(H{sub 2}O){sub 5}]{sub n}·2Cl{sub n}·3nH{sub 2}O [Ln=La, 1; Ce, 2; Pr, 3; Nd, 4; Sm, 5] (1,3-H{sub 4}pdta=1,3-propanediaminetetraacetic acid, C{sub 11}H{sub 18}N{sub 2}O{sub 8}) in high yields. When 1 eq. mol potassium hydroxide was added to the solutions of 1D-CPs, respectively, two 1D-CPs [Ln(1,3-H{sub 2}pdta)(H{sub 2}O){sub 3}]{sub n}·Cl{sub n}·2nH{sub 2}O [Ln=Sm, 6; Gd, 7] were isolated at room temperature and seven 2D-CPs [Ln(1,3-H{sub 2}pdta)(H{sub 2}O){sub 2}]{sub n}·Cl{sub n}·2nH{sub 2}O [Ln=La, 8; Ce, 9; Pr, 10; Nd, 11; Sm, 12; Eu, 13; Gd, 14] were isolated at 70 °C. When the crystals of 1–4 were hydrothermally heated at 180 °C with 1–2 eq. mol potassium hydroxide, four 3D-CPs [Ln(1,3-Hpdta)]{sub n}·nH{sub 2}O [Ln=La, 15; Ce, 16; Pr, 17; Nd, 18] were obtained. The two 2D-CPs [Ln(1,3-Hpdta)(H{sub 2}O)]{sub n}·4nH{sub 2}O (Sm, 19; Eu, 20) were isolated in similar reaction conditions. With the increments of pH value in the solution and reaction temperature, the structure becomes more complicated. 1–5 are soluble in water and 1 was traced by solution {sup 13}C({sup 1}H) NMR technique, the water-soluble lanthanides 1 and 5 show catalytic activity to ester hydrolysis reaction respectively, which indicate their important roles in the hydrolytic reaction. The europium complexes 13 and 20 show visible fluorescence at an excitation of 394 nm. The structure diversity is mainly caused by the variation of coordinated ligand in different pH values and lanthanide contraction effect. Acidic conditions are favorable for the isolations of lanthanide complexes in different structures and this may helpful to separate different lanthanides. The thermal stability investigations reveal that acidic condition is favorable to obtain the oxides at a lower temperature. - Graphical abstract: A series

  3. Surface elastic properties in silicon nanoparticles

    Science.gov (United States)

    Melis, Claudio; Giordano, Stefano; Colombo, Luciano

    2017-09-01

    The elastic behavior of the external surface of a solid body plays a key role in nanomechanical phenomena. While bulk elasticity enjoys the benefits of a robust theoretical understanding, many surface elasticity features remain unexplored: some of them are here addressed by blending together continuum elasticity and atomistic simulations. A suitable readdressing of the surface elasticity theory allows to write the balance equations in arbitrary curvilinear coordinates and to investigate the dependence of the surface elastic parameters on the mean and Gaussian curvatures of the surface. In particular, we predict the radial strain induced by surface effects in spherical and cylindrical silicon nanoparticles and provide evidence that the surface parameters are nearly independent of curvatures and, therefore, of the surface conformation.

  4. Structural, magnetic and catalytic properties of cobalt chromite obtained through precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Gingasu, Dana [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, Bucharest 060021 (Romania); Mindru, Ioana, E-mail: imandru@yahoo.com [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, Bucharest 060021 (Romania); Culita, Daniela C.; Patron, Luminita; Calderon-Moreno, Jose Maria; Osiceanu, Petre; Preda, Silviu [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, Bucharest 060021 (Romania); Oprea, Ovidiu [“Politehnica” University of Bucharest, Faculty of Chemistry, Polizu Street, No. 1-7, Bucharest (Romania); Parvulescu, Viorica [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, Bucharest 060021 (Romania); Teodorescu, Valentin [National Institute of Materials Physics, Atomistilor Street, No. 105 Bis P. O. Box Mg-7, Bucharest – MagureleR-077125 (Romania); Walsh, James P.S. [School of Chemistry and Photon Science Institute, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)

    2015-02-15

    Highlights: • CoCr{sub 2}O{sub 4} was synthesized through the tartarate and gluconate precursor routes. • Both routes led to the formation of the single-phase CoCr{sub 2}O{sub 4}. • The crystallite size was in the range of 14–21 nm. • CoCr{sub 2}O{sub 4} samples presented ferrimagnetic ordering below Currie temperature T{sub c} = 97 K. • CoCr{sub 2}O{sub 4} samples presented catalytic performance in the total oxidation of CH{sub 4}. - Abstract: Cobalt chromite (CoCr{sub 2}O{sub 4}) was synthesized through the precursor method. The precursors: (NH{sub 4}){sub 3}[CoCr{sub 2}(C{sub 4}O{sub 6}H{sub 4}){sub 4}(OH){sub 3}]·4H{sub 2}O, (NH{sub 4}){sub 3}[CoCr{sub 2}(C{sub 6}O{sub 7}H{sub 10}){sub 4}(C{sub 6}O{sub 7}H{sub 9})]·5H{sub 2}O were characterized by elemental chemical analysis, infrared (IR) and ultraviolet–visible (UV–vis) spectroscopy, and thermal analysis. The final oxides were characterized by X-ray diffraction (XRD), scanning and transmission electron microscopy (SEM/TEM), UV–vis, IR, Raman spectroscopy (RS), magnetic measurements, N{sub 2} adsorption–desorption analyses and X-ray photoelectron spectroscopy (XPS). XRD confirmed the cubic CoCr{sub 2}O{sub 4} phase only and determined average crystallite sizes between 14 and 21 nm. Electron microscopy revealed morphology corresponding to the complete crystallization into cubic CoCr{sub 2}O{sub 4}. All the samples presented ferrimagnetic ordering below the Currie temperature (T{sub c}), and a phase transition at T{sub s} ∼26 K attributed to the onset of long-range spiral magnetic order. The CoCr{sub 2}O{sub 4} nanoparticles generated through the gluconate route following calcination at 700 °C for 1 h were found to have the best catalytic activity in the total oxidation of methane.

  5. Superhydrophobic TiO2-polymer nanocomposite surface with UV-induced reversible wettability and self-cleaning properties.

    Science.gov (United States)

    Xu, Qian Feng; Liu, Yang; Lin, Fang-Ju; Mondal, Bikash; Lyons, Alan M

    2013-09-25

    Multifunctional superhydrophobic nanocomposite surfaces based on photocatalytic materials, such as fluorosilane modified TiO2, have generated significant research interest. However, there are two challenges to forming such multifunctional surfaces with stable superhydrophobic properties: the photocatalytic oxidation of the hydrophobic functional groups, which leads to the permanent loss of superhydrophobicity, as well as the photoinduced reversible hydrolysis of the catalytic particle surface. Herein, we report a simple and inexpensive template lamination method to fabricate multifunctional TiO2-high-density polyethylene (HDPE) nanocomposite surfaces exhibiting superhydrophobicity, UV-induced reversible wettability, and self-cleaning properties. The laminated surface possesses a hierarchical roughness spanning the micro- to nanoscale range. This was achieved by using a wire mesh template to emboss the HDPE surface creating an array of polymeric posts while partially embedding untreated TiO2 nanoparticles selectively into the top surface of these features. The surface exhibits excellent superhydrophobic properties immediately after lamination without any chemical surface modification to the TiO2 nanoparticles. Exposure to UV light causes the surface to become hydrophilic. This change in wettability can be reversed by heating the surface to restore superhydrophobicity. The effect of TiO2 nanoparticle surface coverage and chemical composition on the mechanism and magnitude of wettability changes was studied by EDX and XPS. In addition, the ability of the surface to shed impacting water droplets as well as the ability of such droplets to clean away particulate contaminants was demonstrated.

  6. The effect of additives on the reactivity of palladium surfaces for the chemisorption and hydrogenation of carbon monoxide: A surface science and catalytic study. [LaMO/sub 3/(M = Cr, Mn, Fe, Co, Rh)

    Energy Technology Data Exchange (ETDEWEB)

    Rucker, T.G.

    1987-06-01

    This research studied the role of surface additives on the catalytic activity and chemisorptive properties of Pd single crystals and foils. Effects of Na, K, Si, P, S, and Cl on the bonding of CO and H and on the cyclotrimerization of acetylene on the (111), (100) and (110) faces of Pd were investigated in addition to role of TiO/sub 2/ and SiO/sub 2/ overlayers deposited on Pd foils in the CO hydrogenation reaction. On Pd, only in the presence of oxide overlayers, are methane or methanol formed from CO and H/sub 2/. The maximum rate of methane formation is attained on Pd foil where 30% of the surface is covered with titania. Methanol formation can be achieved only if the TiO/sub x//Pd surface is pretreated in 50 psi of oxygen at 550/sup 0/C prior to the reaction. The additives (Na, K, Si, P, S, Cl) affect the bonding of CO and hydrogen and the cyclotrimerization of acetylene to benzene by structural and electronic interactions. In general, the electron donating additives increase the desorption temperature of CO and increase the rate of acetylene cyclotrimerization and the electron withdrawing additives decrease the desorption temperature of CO and decrease the rate of benzene formation from acetylene.

  7. Palladium-free catalytic electroless copper deposition on bamboo fabric: Preparation, morphology and electromagnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lu Yinxiang, E-mail: yxlu@fudan.edu.cn [Department of Materials Science, Fudan University, Shanghai 200433 (China); Liang Qian; Xue Longlong [Department of Materials Science, Fudan University, Shanghai 200433 (China)

    2012-03-01

    Bamboo fabric is subjected to solvent treatment with 3-mercaptopropyltrimethoxysilane (MPTS) before metal deposition. Raman and IR analyses indicate that MPTS is successfully grafted on the fabric. Copper is deposited on the pretreated fabric by a palladium-free catalytic electroless process, and then copper/bamboo fabric (Cu/BF) composite is obtained. SEM (scanning electron microscopy) observation reveals that copper is uniformly covered on the fabric. Chemical composition and crystal structure of the composite are detected by EDX (energy-dispersive X-ray analysis), XPS (X-ray photoelectron spectroscopy) and XRD (X-ray diffraction) measurements, peaks for Cu{sup 0} are found in these patterns. The water absorption ratio for the title composite is about 162% by immersion in water, or 8.9% by putting in an environmental condition (humidity of 65 {+-} 2%). The Cu/BF composite is firm and can pass a Scotch{sup Registered-Sign }-tape peel adhesion test. The electromagnetic interference (EMI) shielding effectiveness (SE) of the composite (copper on fabric: 39 g/m{sup 2}) is more than 48 dB at frequency ranging from 0.2 to1000 MHz.

  8. Palladium-free catalytic electroless copper deposition on bamboo fabric: Preparation, morphology and electromagnetic properties

    Science.gov (United States)

    Lu, Yinxiang; Liang, Qian; Xue, Longlong

    2012-03-01

    Bamboo fabric is subjected to solvent treatment with 3-mercaptopropyltrimethoxysilane (MPTS) before metal deposition. Raman and IR analyses indicate that MPTS is successfully grafted on the fabric. Copper is deposited on the pretreated fabric by a palladium-free catalytic electroless process, and then copper/bamboo fabric (Cu/BF) composite is obtained. SEM (scanning electron microscopy) observation reveals that copper is uniformly covered on the fabric. Chemical composition and crystal structure of the composite are detected by EDX (energy-dispersive X-ray analysis), XPS (X-ray photoelectron spectroscopy) and XRD (X-ray diffraction) measurements, peaks for Cu0 are found in these patterns. The water absorption ratio for the title composite is about 162% by immersion in water, or 8.9% by putting in an environmental condition (humidity of 65 ± 2%). The Cu/BF composite is firm and can pass a Scotch®-tape peel adhesion test. The electromagnetic interference (EMI) shielding effectiveness (SE) of the composite (copper on fabric: 39 g/m2) is more than 48 dB at frequency ranging from 0.2 to1000 MHz.

  9. Catalytic properties of immobilized tannase produced from Aspergillus aculeatus compared with the free enzyme

    Directory of Open Access Journals (Sweden)

    A. B El-Tanash

    2011-09-01

    Full Text Available Aspergillus aculeatus tannase was immobilized on several carriers by entrapment and covalent binding with cross - linking. Tannase immobilized on gelatin with cross - linking agent showed the highest activity and immobilization yield. The optimum pH of the immobilized enzyme was shifted to a more acidic range compared with the free enzyme (from pH 5.5 to pH 5.0. The optimum temperature of the reaction was determined to be 50ºC for the free enzyme and 60ºC for the immobilized form. The thermal stability, as well as stability over a wide range of pH, was significantly improved by the immobilization process. The calculated Km of the immobilized tannase (11.8 mg ml-1 is higher than that of the free tannase (6.5 mg ml-1, while Vmax of the immobilized enzyme (0.32 U (µg protein-1 is lower than that of the free tannase (2.7 U (µg protein-1. The immobilized enzyme was able to retain 84 % of the initial catalytic activity after 5.0 cycles.

  10. Multifunctional, defect-engineered metal-organic frameworks with ruthenium centers: sorption and catalytic properties.

    Science.gov (United States)

    Kozachuk, Olesia; Luz, Ignacio; Llabrés i Xamena, Francesc X; Noei, Heshmat; Kauer, Max; Albada, H Bauke; Bloch, Eric D; Marler, Bernd; Wang, Yuemin; Muhler, Martin; Fischer, Roland A

    2014-07-01

    A mixed-linker solid-solution approach was employed to modify the metal sites and introduce structural defects into the mixed-valence Ru(II/III) structural analogue of the well-known MOF family [M3(II,II)(btc)2] (M=Cu, Mo, Cr, Ni, Zn; btc=benzene-1,3,5-tricarboxylate), with partly missing carboxylate ligators at the Ru2 paddle-wheels. Incorporation of pyridine-3,5-dicarboxylate (pydc), which is the same size as btc but carries lower charge, as a second, defective linker has led to the mixed-linker isoreticular derivatives of Ru-MOF, which display characteristics unlike those of the defect-free framework. Along with the creation of additional coordinatively unsaturated sites, the incorporation of pydc induces the partial reduction of ruthenium. Accordingly, the modified Ru sites are responsible for the activity of the "defective" variants in the dissociative chemisorption of CO2, the enhanced performance in CO sorption, the formation of hydride species, and the catalytic hydrogenation of olefins. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Hydrothermal synthesis, structure, and catalytic properties of UO2Sb2O4

    International Nuclear Information System (INIS)

    Sykora, Richard E.; King, Joseph E.; Illies, Andreas J.; Albrecht-Schmitt, Thomas E.

    2004-01-01

    A new uranyl antimonite, UO 2 Sb 2 O 4 (1), has been prepared from the hydrothermal reaction of UO 3 with Sb 2 O 3 and KCl. The structure of 1 consists of neutral two-dimensional ∞ 2 [UO 2 Sb 2 O 4 ] layers. The U(VI) centers are ligated by two trans oxo ligands and four square pyramidal antimonite anions. In addition, the U(VI) also forms long contacts with two additional oxygen atoms that are distorted by 12.7(2) degree sign out of the equatorial plane perpendicular to the uranyl unit. These long interactions are significant owing to evidence supplied by bond valence sum calculations. The two-dimensional layers found in 1 are built from one-dimensional chains formed from edge-sharing UO 6 octahedra that run along the b-axis, and are linked together by [Sb 2 O 4 ] 2- chains. A flow microreactor system has been used to study the catalytic activity of 1, and these results show that it can be used as a catalyst in the conversion of propene and O 2 to acrolein. Crystallographic data: 1, monoclinic, space group C2/m, a=13.490(2) A, b=4.0034(6) A, c=5.1419(8) A, β=104.165(3) deg., Z=2, MoKα, λ=0.71073, R(F)=1.74% for 30 parameters with 365 reflections with I>2σ(I)

  12. Structural and catalytic properties of some azo-rhodanine Ruthenium(III) complexes

    Science.gov (United States)

    Shoair, A. F.; El-Bindary, A. A.; Abd El-Kader, M. K.

    2017-09-01

    Novel azo-rhodanine ruthenium(III) complexes of the type trans-[Ru(Ln)2(AsPh3)2]Cl (Ln = monobasic bidentate anions of 5-(4‧-methoxyphenylazo)-3-phenylamino-2-thioxothiazolidin-4-one (HL1), 5-(phenylazo)-3-phenylamino-2-thioxothiazolidin-4-one (HL2) and 5-(4‧-chlorophenylazo)-3-phenylamino-2-thioxothiazolidin-4-one (HL3); AsPh3 = triphenylarsine) have been synthesized and characterized by elemental analysis, spectroscopic (IR, 1H NMR and UV-VIS), magnetic, X-ray diffraction, mass spectra and thermal analysis techniques. These techniques confirm the formation of octahedral ruthenium(III) complexes. The Ru(III) complexes were tested as a catalysts for the oxidation of benzyl alcohol to benzaldehyde with N-methylmorpholine-N-oxide as a co-oxidant. The effect of time, temperature, and solvent were also studied and the mechanism of this catalytic oxidation reaction is suggested. Molecular docking was used to predict the binding between azo rhodanine derivatives (HLn) with the receptor of 3qum- immune system receptor of human prostate specific antigen (PSA) in a Fab sandwich with a high affinity and a PCa selective antibody.

  13. Porphyrin-Metalation-Mediated Tuning of Photoredox Catalytic Properties in Metal–Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Jacob A.; Luo, Jian; Zhang, Xu; Chen, Yu-Sheng; Morton, Martha D.; Echeverría, Elena; Torres, Fernand E.; Zhang, Jian

    2015-09-04

    Photoredox catalytic activation of organic molecules via single-electron transfer processes has proven to be a mild and efficient synthetic methodology. However, the heavy reliance on expensive ruthenium and iridium complexes limits their applications for scale-up synthesis. To this end, photoactive metal–organic frameworks (MOFs) exhibit unique advantages as novel heterogeneous photocatalytic systems, yet their utilization toward organic transformations has been limited. Here we describe the preparation and synthetic applications of four isostructural porphyrinic MOFs, namely, UNLPF-10a, -10b, -11, and -12, which are composed of free base, InIII-, SnIVCl2-, and SnIV-porphyrin building blocks, respectively. We demonstrate that the metalation with high valent metal cations (InIII and SnIV) significantly modifies the electronic structure of porphyrin macrocycle and provides a highly oxidative photoexcited state that can undergo efficient reductive quenching processes to facilitate organic reactions. In particular, UNLPF-12 exhibits both outstanding photostability and efficient photocatalytic activities toward a range of important organic transformations including aerobic hydroxylation of arylboronic acids, amine coupling, and the Mannich reaction.

  14. Molecular and catalytic properties of angiotensin converting enzyme-I from bovine seminal plasma.

    Science.gov (United States)

    Sharma, M; Singh, U S

    1988-07-01

    Angiotensin converting enzyme [EC 3.4.15.1] was shown to exist in two distinct forms in bovine seminal plasma. The higher molecular weight form of the enzyme (angiotensin convering enzyme I) was purified to homogeneity by Sephadex G-200 gel filtration, and DEAE-Sepharose, blue Sepharose, and concanavalin A-Sepharose column chromatography. Final recovery of the enzyme was 9.0. The molecular weight of the enzyme was estimated to be 8 x 10(5) by the gel filtration method. A value of 4.6 x 10(5) was obtained for the reduced and denatured enzyme by dodecylsulfate polyacrylamide gel electrophoresis. The Stokes' radius, diffusion coefficient, and intrinsic viscosity of the purified enzyme were determined to be 95 A, 2.3 x 10(-7) cm2/s, and 6.76 ml/g. The enzyme had a specific activity of 105.12 mumol/min/mg protein for hippurylhistidylleucine. The Km value for hippurylhistidylleucine was found to be 20 mM. Studies with EDTA suggest that metal ions which are tightly bound are required for its activity. The enzyme was inhibited by some heavy metal ions but did not required sulfhydryl groups for its activity. Trypsin treatment of the urea-denatured enzyme produced a catalytically active fragment with an Mr of 30,000. Chemical hydrolysis of the native enzyme did not produce any active fragment.

  15. On the role of metal particle size and surface coverage for photo-catalytic hydrogen production; a case study of the Au/CdS system

    KAUST Repository

    Majeed, I.

    2015-09-25

    Photo-catalytic hydrogen production has been studied on Au supported CdS catalysts under visible light irradiation in order to understand the effect of Au particle size as well as the reaction medium properties. Au nanoparticles of size about 2-5 nm were deposited over hexagonal CdS particles using a new simple method involving reduction of Au3+ ions with iodide ions. Within the investigated range of Au (between 1 and 5 wt. %) fresh particles with mean size of 4 nm and XPS Au4f/Cd3d surface ratio of 0.07 showed the highest performance (ca. 1 molecule of H2 / Auatom s−1) under visible light irradiation (>420 nm and a flux of 35 mW/cm2). The highest hydrogen production rate was obtained from water (92%)-ethanol (8%) in an electrolyte medium (Na2S-Na2SO3). TEM studies of fresh and used catalysts showed that Au particle size increases (almost 5 fold) with increasing photo-irradiation time due to photo-agglomeration effect yet no sign of deactivation was observed. A mechanism for hydrogen production from ethanol-water electrolyte mixture is presented and discussed.

  16. Effect of the preparation method on the structural and catalytic properties of spinel cobalt-iron oxide

    Energy Technology Data Exchange (ETDEWEB)

    Hammiche-Bellal, Yasmina, E-mail: yasminahammiche@gmail.com [Laboratoire des Matériaux Catalytiques et Catalyse en Chimie Organique, Faculté de Chimie, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Djadoun, Amar [Laboratoire de Géophysique, FSTGAT, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Meddour-Boukhobza, Laaldja; Benadda, Amel [Laboratoire des Matériaux Catalytiques et Catalyse en Chimie Organique, Faculté de Chimie, USTHB, BP32 El Alia, Bab Ezzouar, 16111, Alger (Algeria); Auroux, Aline [Université Lyon 1, CNRS, UMR 5256, IRCELYON, Institut de Recherches sur la Catalyse et l' Environnement de Lyon, 2 Avenue Albert Einstein, F-69626, Villeurbanne (France); Berger, Marie-Hélène [Centre des Matériaux PIERRE-MARIE Fourt, UMR 7633, Paris (France); Mernache, Fateh [UDEC-CRND, COMENA, BP 43 Draria, 16050, Alger (Algeria)

    2016-07-01

    Spinel cobalt-iron oxide was synthesized by co-precipitation and hydrothermal routes. The effect of the co-precipitation experimental conditions, the calcination temperature and the hydrothermal synthesis time and temperature on the properties of the solids was studied. The prepared powders were evaluated as catalysts in the ethanol combustion reaction, and were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM/EDX), nitrogen adsorption–desorption isotherms (BET, BJH) and temperature programmed reduction (TPR) techniques. Using chloride salts as starting materials and sodium hydroxide as precipitating agent, the CoFe{sub 2}O{sub 4} prepared powders displayed a mesoporous structure with a pore distribution strongly dependent on the experimental conditions. A monophasic spinel phase in the case of the calcined solids was obtained while the hydrothermal process led to the formation of a mixture of single oxides in addition to the spinel phase. The variation of the crystallite size and the lattice parameter as a function of calcination temperature was similar, whereas this variation found to be irregular when the synthesis residence time in autoclave was increased. The hydrothermally treated solids show the best catalytic performance in the total oxidation of ethanol. The catalytic behavior was correlated with the crystallite size and the reduction temperature of cobalt species determined by the TPR analysis. - Highlights: • Pure CoFe{sub 2}O{sub 4} phase is obtained by co-precipitation method at calcination temperatures 500–900 °C. • The temperature of co-precipitation procedure influences strongly the growth of the solids during the calcination step. • The hydrothermal synthesis gives a mixture of oxides; CoFe{sub 2}O{sub 4} is the predominant phase. • The CoFe{sub 2}O{sub 4} spinel showed a good catalytic reactivity in the ethanol combustion reaction. • The catalysts prepared by hydrothermal process are more reactive and

  17. Structural and optical properties of self-catalytic GaAs:Mn nanowires grown by molecular beam epitaxy on silicon substrates

    DEFF Research Database (Denmark)

    Gas, Katarzyna; Sadowski, Janusz; Kasama, Takeshi

    2013-01-01

    Mn-doped GaAs nanowires were grown in the self-catalytic growth mode on the oxidized Si(100) surface by molecular beam epitaxy and characterized by scanning and transmission electron microscopy, Raman scattering, photoluminescence, cathodoluminescence, and electron transport measurements. The tra...

  18. Controlled synthesis, characterization, and catalytic properties of Mn(2)O(3) and Mn(3)O(4) nanoparticles supported on mesoporous silica SBA-15.

    Science.gov (United States)

    Han, Yi-Fan; Chen, Fengxi; Zhong, Ziyi; Ramesh, Kanaparthi; Chen, Luwei; Widjaja, Effendi

    2006-12-07

    A method established in the present study has proven to be effective in the synthesis of Mn(2)O(3) nanocrystals by the thermolysis of manganese(III) acetyl acetonate ([CH(3)COCH=C(O)CH(3)](3)-Mn) and Mn(3)O(4) nanocrystals by the thermolysis of manganese(II) acetyl acetonate ([CH(3)COCH=C(O)-CH(3)](2)Mn) on a mesoporous silica, SBA-15. In particular, Mn(2)O(3) nanocrystals are the first to be reported to be synthesized on SBA-15. The structure, texture, and electronic properties of nanocomposites were studied using various characterization techniques such as N2 physisorption, X-ray diffraction (XRD), laser Raman spectroscopy (LRS), temperature-programmed reduction (TPR), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The results of powder XRD at low angles show that the framework of SBA-15 remains unaffected after generation of the manganese oxide (MnO(x)) nanoparticles, whereas the pore volume and the surface area of SBA-15 dramatically decreased as indicated by N2 adsorption-desorption. TEM images reveal that the pores of SBA-15 are progressively blocked with MnO(x) nanoparticles. The formation of the hausmannite Mn(3)O(4) and bixbyite Mn(2)O(3) structures was clearly confirmed by XRD. The surface structures of MnO(x) were also determined by LRS, XPS, and TPR. The crystalline phases of MnO(x) were identified by LRS with corresponding out-of-plane bending and symmetric stretching vibrations of bridging oxygen species (M-O-M) of both MnO(x) nanoparticles and bulk MnO(x). We also observed the terminal Mn=O bonds corresponding to vibrations at 940 and 974 cm-1 for Mn(3)O(4)/SBA-15 and Mn(2)O(3)/SBA-15, respectively. These results show that the MnO(x) species to be highly dispersed inside the channels of SBA-15. The nanostructure of the particles was further identified by the TPR profiles. Furthermore, the chemical states of the surface manganese (Mn) determined by XPS agreed well with the findings of LRS and XRD. These results

  19. 1-Hexene Polymerization Using Ziegler-Natta Catalytic System with Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Maliheh Mazaheriyan

    2017-07-01

    Full Text Available The effects of process conditions and their interactions on the catalyst activity in 1-hexene polymerization were studied with design of experiments by response surface methodology (RSM using a commercial Ziegler-Natta (ZN catalyst in the form of TiCl4/MgCl2/Di-n-butyl phthalate. The effect of different operational variables on the catalyst activity was examined by performing the primary experiments of 1-hexene polymerization.  Among different operational variables, three variables including monomer concentration, polymerization temperature and cocatalyst/catalyst molar ratio (Al/Ti were considered as the main parameters which affected the catalyst activity in the 1-hexene polymerization. The Box-Behnken model with three main parameters in three level responses for each factor was applied to analyze the parameter relationships. After demonstrating the reproducibility of the experimental results, the statistical analysis of experimental data showed that the monomer concentration and Al/Ti molar ratio affected the catalyst activity significantly. It was found that, at room temperature, by increasing the monomer concentration from 80.0 mmol to 239.9 mmol, the activity of the studied ZN catalyst increased from 75.2 to 265.1 gpoly(1-hexene/gcat. In addition, by changing the Al/Ti ratio from 45.9 to 136.8, the catalyst activity increased from 145.2 to 265.1 gpoly(1-hexene/gcat. The maximum activity of catalyst was obtained at the polymerization temperature around 25°C, and by increasing the temperature the activity of studied catalyst decreased. Based on the RSM, the best polymerization condition was obtained at a polymerization temperature of about 35°C, Al/Ti ratio of 136.8, and monomer concentration of 239.9 mmol, which resulted in maximum productivity of the catalyst.

  20. Modification of surface properties of copper-refractory metal alloys

    Science.gov (United States)

    Verhoeven, J.D.; Gibson, E.D.

    1993-10-12

    The surface properties of copper-refractory metal (CU-RF) alloy bodies are modified by heat treatments which cause the refractory metal to form a coating on the exterior surfaces of the alloy body. The alloys have a copper matrix with particles or dendrites of the refractory metal dispersed therein, which may be niobium, vanadium, tantalum, chromium, molybdenum, or tungsten. The surface properties of the bodies are changed from those of copper to that of the refractory metal.

  1. Impact of surface coal mining on soil hydraulic properties

    Science.gov (United States)

    X. Liu; J. Q. Wu; P. W. Conrad; S. Dun; C. S. Todd; R. L. McNearny; William Elliot; H. Rhee; P. Clark

    2016-01-01

    Soil erosion is strongly related to soil hydraulic properties. Understanding how surface coal mining affects these properties is therefore important in developing effective management practices to control erosion during reclamation. To determine the impact of mining activities on soil hydraulic properties, soils from undisturbed areas, areas of roughly graded mine...

  2. The Surface Chemical Properties of Novel High Surface Area Solids ...

    African Journals Online (AJOL)

    during zeolite synthesis.22 Because raw fly ash has large quanti- ties of a host of elements, many of these will act as nucleation sites, which results in many small crystals rather than a few large ones. Acid etching removed the needle-like structures on the particle surfaces, revealing a porous underlying structure. (Fig. 1c).

  3. Novel Base Metal-Palladium Catalytic Diesel Filter Coating with NO2 Reducing Properties

    DEFF Research Database (Denmark)

    Johansen, K.; Dahl, S.; Mogensen, G.

    2007-01-01

    A novel alternative base metal/palladium coat has been developed that has limited NO2 formation and which even removes NO2 in a wide temperature range.Soot combustion, HC conversion and CO conversion properties are comparable to current platinum based solutions but the coating has a more attracti...

  4. Microwave-Assisted Synthesis of Nickel Oxide Nanoparticles Using Coriandrum sativum Leaf Extract and Their Structural-Magnetic Catalytic Properties

    Directory of Open Access Journals (Sweden)

    Ramakrishnan Azhagu Raj

    2017-04-01

    Full Text Available In this paper, using Coriandrum sativum L., a leaf-extracted, assisted microwave method (MM was used to synthesize nickel oxide formation. We synthesized nickel oxide nanoparticles (NiO with a crystal size in the range of 15–16 nm by a Coriandrum sativum leaf-assisted microwave method (LAMM. The synthesized materials show that an X-ray diffraction (XRD study confirmed the formation of a single phase structure exhibiting a crystallite size in the range of 15–16 nm using Scherrer’s method. The nickel oxide prepared by the MM had a surface area of 60.35 m2/g, pore volume of 0.9427 cm3/g and an average pore diameter of 13.27 Å. Surface morphology was analyzed by the scanning electron microscope (SEM, X-ray photoelectron spectroscope, Brunauer-Emmett-Teller (BET analysis, and the vibrating sample magnetometer (VSM. Catalytic activity (CA tended toward the oxidation of styrene to benzaldehyde. The inexpensive catalyst tested is likely effective as a catalyst due to synergistic interactions between metal oxides with high dispersion. In comparison with other findings, LAMM is easy and eco-friendly. The current study obtained nanocrystalline NiO that was suitable for potential applications in catalysis. The synthesized NiO could potentially be used in therapeutic field due to their competent antibacterial activity.

  5. Influence of Al content on textural properties and catalytic activity of ...

    Indian Academy of Sciences (India)

    Before measurements were taken, samples were outgassed at 573 K for 4 h. BET surface areas were obtained from adsorption branches in a relative pressure range of 0·05–0·30. Pore size distribu- tions were calculated from adsorption branches using Barret–. Joyner–Halenda (BJH) method. The pore volume was taken.

  6. Antifouling polymer brushes displaying antithrombogenic surface properties

    Czech Academy of Sciences Publication Activity Database

    de los Santos Pereira, Andres; Sheikh, S.; Blaszykowski, C.; Pop-Georgievski, Ognen; Fedorov, K.; Thompson, M.; Rodriguez-Emmenegger, Cesar

    2016-01-01

    Roč. 17, č. 3 (2016), s. 1179-1185 ISSN 1525-7797 R&D Projects: GA ČR(CZ) GJ15-09368Y; GA MŠk(CZ) ED1.1.00/02.0109 Grant - others:OPPK(XE) CZ.2.16/3.1.00/21545 Program:OPPK Institutional support: RVO:61389013 Keywords : polymer brushes * surface characterization * antifouling surfaces Subject RIV: BO - Biophysics Impact factor: 5.246, year: 2016

  7. Highly sensitive methane catalytic combustion micro-sensor based on mesoporous structure and nano-catalyst.

    Science.gov (United States)

    Su, Jiacan; Cao, Liehu; Li, Liang; Wei, Jie; Li, Gengnan; Yuan, Yinyin

    2013-10-21

    In order to get a methane catalytic combustion micro-sensor, two different catalytic systems used in traditional methane catalytic combustion sensors were fabricated into a mesoporous structure and their catalytic activities were investigated. In comparison, the Rh2O3-Al2O3 system can form more a uniform mesoporous structure and has a much higher specific surface area. Even more importantly, it has relatively higher catalytic activity and stability for the methane catalytic combustion reaction. After being coated on a microelectro-mechanical system (MEMS) micro-heater, a catalytic combustion type methane micro-sensor was fabricated. The meso-structured Rh2O3-Al2O3 hybrid based MEMS sensor demonstrated a short T90 response time, relatively high signal output, high enough signal/noise ratio for practical detecting and strong anti-poison properties.

  8. DFT studies on catalytic properties of isolated and carbon nanotube supported Pd9 cluster. Part II. Hydro-isomerization of butene isomers.

    Science.gov (United States)

    D'Anna, Vincenza; Duca, Dario; Ferrante, Francesco; La Manna, Gianfranco

    2010-02-14

    The processes involved in the butene hydro-isomerization, occurring on a small palladium cluster in the presence of dissociated hydrogen, have been investigated by means of DFT and DFT/MM approaches. This study has been performed both on an isolated (unsupported) Pd(9) cluster and on the same cluster when it is supported on a portion of a single-walled armchair(6,6) carbon nanotube. The study follows another investigation which has already been published concerning the adsorption, fragmentation and diffusion of hydrogen on the same metal cluster. The main aspects involved in the parallel reaction steps of the whole hydro-isomerization mechanisms are not strongly affected by the presence of the support, which does, however, modify the energetics involved, likely due to the presence of strong metal surface interaction (SMSI) effects. Noticeably, a common step corresponding to the diffusion of one hydrogen atom is present. This diffusion step creates a characteristic semihydrogenated surface species along the occurrence of all the reaction pathways. Hence, the semihydrogenated species is a kind of molecular node able to connect the transformation pathways of the different surface species involved in the hydro-isomerization processes. Considering the energetics involved in the processes of both supported and unsupported systems and being aware of the simplification introduced in studying the same systems, it is still possible (i) to emphasize the basis importance of taking account of the support in modeling catalytic properties and (ii) to state that the models proposed here are able to capture the main characteristics of the title reaction.

  9. Synthesis of HPMC stabilized nickel nanoparticles and investigation of their magnetic and catalytic properties.

    Science.gov (United States)

    Maity, Dipanwita; Mollick, Md Masud Rahaman; Mondal, Dibyendu; Bhowmick, Biplab; Neogi, Swarup Kumar; Banerjee, Aritra; Chattopadhyay, Sanatan; Bandyopadhyay, Sudipta; Chattopadhyay, Dipankar

    2013-10-15

    Nickel nanoparticles synthesized from NiCl2·6H2O by hydrazine hydrate in mixed solvent of ethanol and water in the presence of hydroxypropylmethylcellulose (HPMC) as protective and stabilizing agents. The morphology and sizes of synthesized Ni nanoparticles were studied by field-emission-scanning-electron microscopy (FESEM). Structural properties of nanoparticles were examined by X-ray diffraction (XRD). The polymer stabilized Ni nanoparticles were characterized by Fourier-transform infrared (FTIR) spectroscopy. The magnetic measurement showed that the resultant Ni nanoparticles were ferromagnetic. Also, the saturation magnetization (MS), remanent magnetization (MR) and coercivity (MR) were observed to increase with decreasing temperature. The results of magnetic characterization showed that the magnetic properties of the HPMC stabilized Ni nanoparticles are quite different from those of the bared Ni nanoparticles. All the observed magnetic properties essentially reflected the very typical nanoparticle type nature. Consequently, the resulting Ni nanoparticles were found to be highly active and recyclable catalyst for Suzuki coupling reactions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Effect of preparation method on the physical and catalytic property of nanocrystalline Fe2O3

    International Nuclear Information System (INIS)

    Wu, Gang; Tan, Xiaoyan; Li, Guiying; Hu, Changwei

    2010-01-01

    Nanocrystalline Fe 2 O 3 was prepared by five different methods. The samples were characterized by powder X-ray diffraction (XRD), Fourier transform infrared (FT-IR), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). It is found that pure single-phase of α-Fe 2 O 3 crystal could be gained via thermal decomposition and ultrasonic-precipitation method, while both α-Fe 2 O 3 and γ-Fe 2 O 3 are obtained by the other methods. The morphologies and particle sizes of the samples obtained are approximate except that by thermal decomposition. Compared to α-Fe 2 O 3 , γ-Fe 2 O 3 possesses more surface oxygen species 'O - '. The activity test indicates that surface oxygen species 'O - ' plays a crucial role in the hydroxylation of benzene to phenol with hydrogen peroxide as oxidant.

  11. Spectrophotometric evaluation of surface morphology dependent catalytic activity of biosynthesized silver and gold nanoparticles using UV–vis spectra: A comparative kinetic study

    International Nuclear Information System (INIS)

    Ankamwar, Balaprasad; Kamble, Vaishali; Sur, Ujjal Kumar; Santra, Chittaranjan

    2016-01-01

    Graphical abstract: - Highlights: • The biosynthesized silver nanoparticles were stable for 6 months and used as effective SERS active substrate. • They are effective catalyst in the chemical reduction of 4-nitrophenol to 4-aminophenol. • Comparative catalytic efficiency of both silver and gold nanoparticles was studied spectrophotometrically. • Our results demonstrate surface morphology dependent catalytic activity of both nanoparticles. - Abstract: The development of eco-friendly and cost-effective synthetic protocol for the preparation of nanomaterials, especially metal nanoparticles is an emerging area of research in nanotechnology. These metal nanoparticles, especially silver can play a crucial role in various catalytic reactions. The biosynthesized silver nanoparticles described here was very stable up to 6 months and can be further exploited as an effective catalyst in the chemical reduction of 4-nitrophenol to 4-aminophenol. The silver nanoparticles were utilized as an efficient surface-enhanced Raman scattering (SERS) active substrate using Rhodamine 6G as Raman probe molecule. We have also carried out systematic comparative studies on the catalytic efficiency of both silver and gold nanoparticles using UV–vis spectra to monitor the above reaction spectrophotometrically. We find that the reaction follows pseudo-first order kinetics and the catalytic activity can be explained by a simple model based on Langmuir–Hinshelwood mechanism for heterogeneous catalysis. We also find that silver nanoparticles are more efficient as a catalyst compare to gold nanoparticles in the reduction of 4-nitrophenol to 4-aminophenol, which can be explained by the morphology of the nanoparticles as determined by transmission electron microscopy.

  12. Tuning antimicrobial properties of biomimetic nanopatterned surfaces.

    Science.gov (United States)

    Michalska, Martyna; Gambacorta, Francesca; Divan, Ralu; Aranson, Igor S; Sokolov, Andrey; Noirot, Philippe; Laible, Philip D

    2018-04-05

    Nature has amassed an impressive array of structures that afford protection from microbial colonization/infection when displayed on the exterior surfaces of organisms. Here, controlled variation of the features of mimetics derived from etched silicon allows for tuning of their antimicrobial efficacy. Materials with nanopillars up to 7 μm in length are extremely effective against a wide range of microbial species and exceed the performance of natural surfaces; in contrast, materials with shorter/blunter nanopillars (<2 μm) selectively killed specific species. Using a combination of microscopies, the mechanisms by which bacteria are killed are demonstrated, emphasizing the dependence upon pillar density and tip geometry. Additionally, real-time imaging reveals how cells are immobilized and killed rapidly. Generic or selective protection from microbial colonization could be conferred to surfaces [for, e.g., internal medicine, implants (joint, dental, and cosmetic), food preparation, and the agricultural industry] patterned with these materials as coatings.

  13. Structural and electronic properties of hydrosilylated silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Baumer, A.

    2005-11-15

    The structural and electronic properties of alkyl-terminated Si surfaces prepared by thermallyinduced hydrosilylation have been studied in detail in the preceding chapters. Various surfaces have been used for the functionalization ranging from crystalline Si over amorphous hydrogenated Si to nanoscaled materials such as Si nanowires and nanoparticles. In each case, the alkyl-terminated surfaces have been compared to the native oxidized and H-terminated surfaces. (orig.)

  14. Composition and physical properties of Enceladus' surface

    Science.gov (United States)

    Brown, R.H.; Clark, R.N.; Buratti, B.J.; Cruikshank, D.P.; Barnes, J.W.; Mastrapa, R.M.E.; Bauer, J.; Newman, S.; Momary, T.; Baines, K.H.; Bellucci, G.; Capaccioni, F.; Cerroni, P.; Combes, M.; Coradini, A.; Drossart, P.; Formisano, V.; Jaumann, R.; Langavin, Y.; Matson, D.L.; McCord, T.B.; Nelson, R.M.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe

    2006-01-01

    Observations of Saturn's satellite Enceladus using Cassini's Visual and Infrared Mapping Spectrometer instrument were obtained during three flybys of Enceladus in 2005. Enceladus' surface is composed mostly of nearly pure water ice except near its south pole, where there are light organics, CO2, and amorphous and crystalline water ice, particularly in the region dubbed the "tiger stripes." An upper limit of 5 precipitable nanometers is derived for CO in the atmospheric column above Enceladus, and 2% for NH 3 in global surface deposits. Upper limits of 140 kelvin (for a filled pixel) are derived for the temperatures in the tiger stripes.

  15. Manganese phospate physical chemistry and surface properties

    International Nuclear Information System (INIS)

    Najera R, N.; Romero G, E. T.

    2008-01-01

    This paper presents the methodology for the manganese phosphate (III) synthesis (MnP0 4 H 2 0) from manganese chloride. The physicochemical characterization was carried out by: X-ray diffraction, scanning electron microscopy, infrared analysis and thermal gravimetric analysis. The surface characterization is obtained through the determination of surface area, point of zero charge and kinetics of moisture. As a phosphate compound of a metal with low oxidation state is a promising compound for removal pollutants from water and soil, can be used for the potential construction of containment barriers for radioactive wastes. (Author)

  16. Improved properties of the catalytic model system Ni/Ru(0001)

    DEFF Research Database (Denmark)

    Egeberg, Rasmus; Chorkendorff, Ib

    2001-01-01

    ) illustrating the unique properties of metal-on-metal systems. The effect of enhanced reactivity is primarily ascribed to electronic effects induced by a straining of the Ni overlayer. The enhanced reactivity towards CH4 is accompanied by new features in the thermal desorption spectra of CO. The reactivity...... of the, system depends strongly on the annealing temperature. Molecular beam experiments at high translational energy are qualitatively different from thermal data showing a monotonic decrease of the CH4 sticking probability as Ni is added....

  17. surface properties of electrochemically reduced viscose rayon ...

    African Journals Online (AJOL)

    DJFLEX

    A viscose rayon based activated carbon cloth (ACC) was electrochemically reduced under a wide ... Electrochemical reduction resulted in a loss of 28% BET surface .... electrodes. As shown in. Figure 1. Schematic of the electrochemical cell used for electrochemical reduction. Figure 1, the anodes were placed at equal.

  18. Wetting Properties of Molecularly Rough Surfaces

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Martin; Malijevský, Alexandr; Lísal, Martin

    2015-01-01

    Roč. 143, č. 10 (2015), s. 104701 ISSN 0021-9606 R&D Projects: GA ČR GA13-09914S; GA MŠk LH12020 Institutional support: RVO:67985858 Keywords : contant-angle * solid-surface * dynamics Subject RIV: BJ - Thermodynamics Impact factor: 2.894, year: 2015

  19. Binary mixtures of ionic liquids: a joint approach to investigate their properties and catalytic ability.

    Science.gov (United States)

    D'Anna, Francesca; Marullo, Salvatore; Vitale, Paola; Noto, Renato

    2012-05-14

    The growing interest in the properties and applications of ionic liquids has recently led to research into the possibility of using their binary mixtures. This work reports on the effects of binary mixtures of ionic liquids on the outcome of organic reactions such as the mononuclear rearrangement of heterocycles and the solvatochromic behavior of Nile Red. Binary mixtures formed by ionic liquids differing in the structure of the cation and the anion are taken into account. In particular, ionic liquids such as 1-benzyl-3-butylimidazolium bis(trifluoromethanesulfonyl)imide, 1-(2,3,4,5,6-pentafluorobenzyl)-3-butylimidazolium bis(trifluoromethanesulfonyl)imide, and 1-benzyl-3-butylimidazolium tetrafluoroborate, are studied. To achieve a deep understanding of the properties of ionic-liquid binary mixtures, their three-dimensional organization was analyzed by a combination of resonance light scattering, UV/Vis spectroscopy, and (1)H and (19)F NMR spectroscopy. Data collected herein evidence that the most significant changes in the ionic lattice structure, and consequently the most pronounced effects exerted as solvent media, occur when the studied system involves a blend of different anions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Synthesis, crystal structures, luminescence and catalytic properties of two d¹⁰ metal coordination polymers constructed from mixed ligands.

    Science.gov (United States)

    Wang, Xiao-xiao; Zhang, Ming-xi; Yu, Baoyi; Van Hecke, Kristof; Cui, Guang-hua

    2015-03-15

    Two new coordination polymers [Cd(bmb)(hmph)]n (1), {[Ag(bmb)]·H2btc}n (2) (bmb=1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene, H2hmph=homophthalic acid, H3btc=1,3,5-benzenetetracarboxylic acid) were synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction methods, IR spectroscopy, TGA, XRPD and elemental analysis. Complex 1 features a 3D threefold interpenetrating dia array with a 4-connected 6(6) topology. Complex 2 shows a 1D helix chain structure connected by L1 ligands, which is finally extended into a rarely 2D 4L2 supramolecular network via C-H⋯O hydrogen bond interactions. In addition, the luminescence and catalytic properties of the two complexes for the degradation of the methyl orange azo dye in a Fenton-like process were presented. The degradation efficiency of the methyl orange azo dye for 1 and 2 are 56% and 96%, respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(III) complexes with oxazoline alcoholate ligands.

    Science.gov (United States)

    Jie, Suyun; Pattacini, Roberto; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Braunstein, Pierre

    2009-01-07

    The dinuclear chromium complexes [Cr(2)(N,O)(3)Cl(3)] (6) (N,O = 4,4-dimethyl-2-oxazolylmethanolate), [Cr(2)(N,O(Me2))(2)(EtOH)(2)Cl(4)] (7) and [Cr(2)(N,O(Me2))(2)(H(2)O)(2)Cl(4)] (8) (N,O(Me2) = 4,4-dimethyl-2-oxazolyldimethylmethanolate) have been prepared and characterized, including by single-crystal X-ray diffraction. Complex 6 is unsymmetrical, with two chloride ligands terminally bound to one Cr atom, whereas 7 and 8 (in 8 x C(4)H(8)O) which contain two molecules of coordinated ethanol or water, respectively, are centrosymmetric. These chromium complexes are paramagnetic, and the magnetic properties of 6 and 7 in the solid state correspond to antiferromagnetic behaviour, which was confirmed by DFT calculations of their electronic structures. Complexes 6-8 were evaluated in the catalytic oligomerization and/or polymerization of ethylene with different aluminium-based cocatalysts, and MMAO proved to be the most effective one. In the presence of MMAO, the influence of different reaction parameters, such as the Al/Cr molar ratio, reaction temperature and ethylene pressure, was investigated. Complex 7 showed the highest activity for ethylene polymerization at both 1 atm and 10 atm of ethylene pressure, up to 620 000 g mol(-1)(Cr) h(-1) in the latter case.

  2. Single-crystal Au microflakes modulated by amino acids and their sensing and catalytic properties.

    Science.gov (United States)

    Li, Mingjie; Wu, Xiaochen; Zhou, Jiyu; Kong, Qingshan; Li, Chaoxu

    2016-04-01

    Single-crystal Au microflakes with the planar area over 10(3)μm(2) (i.e. being accessible to the human eye resolution) were synthesized in an environment-friendly route by directing two-dimensional growth of Au nanocrystals into macroscopic scales with amino acids as both reducing agents and capping agents. Side groups of amino acids were found to be a determinant parameter to tune the dimension and size of Au single crystals. The successful synthesis of Au microflakes provides an unprecedented opportunity to bridge nanotechnology and macroscopic devices, and hereby to start a new scenario of exploring their unique properties and applications in optoelectronic devices and bio-sensing fields across multiple length scales. For example, Au microflakes respond to air humidity upon depositing on films of chitin nanofibrils, and sense various physiological molecules as electrode materials of biosensors. Copyright © 2016 Elsevier Inc. All rights reserved.

  3. [Biological properties of Lactobacillus surface proteins].

    Science.gov (United States)

    Buda, Barbara; Dylus, Ewa; Górska-Frączek, Sabina; Brzozowska, Ewa; Gamian, Andrzej

    2013-04-04

    Lactobacillus, a genus of Gram-positive bacteria, includes many strains of probiotic microflora. Probiotics, by definition, are living microorganisms that exert beneficial effects on the host organism. The morphology and physiology of the Lactobacillus bacterial genus are described. The structure of the cell wall of Gram-positive bacteria is discussed. The surface S-layer of Lactobacillus composed of proteins (SLP) with low molecular mass is presented. Cell surface proteins participating in the regulation of growth and survival of the intestinal epithelium cells are characterized. The influence of stress factors such as increased temperature, pH, and enzymes of gastric and pancreatic juice on SLP expression is described. The ability of binding of heavy metal ions by S-layer proteins is discussed. The characteristics of these structures, including the ability to adhere to epithelial cells, and the inhibition of invasion of pathogenic microflora of type Shigella, Salmonella, Escherichia coli and Clostridium and their toxins, are presented. 

  4. Catalytic Properties of Fe-containing Layered Aluminosilicates in Photo-oxidation of Dye “Methyl Green”

    Science.gov (United States)

    Shadrina, O. A.; Dashinamzhilova, E. Ts; Khankhasaeva, S. Ts

    2017-11-01

    The iron-containing materials with an iron content of 40 mg/g and 52.5 mg/g, a specific surface area of 107 m2/g and 96 m2/g are developed on the basis of natural layered aluminosilicate (montmorillonite) and polyhydroxo complexes of iron. It is shown that the materials exhibit high catalytic activity in the photo-oxidation of dye “Methyl Green”. The influence of physicochemical parameters (loading of the catalyst, a ratio of initial concentrations [H2O2]/[MG] on the efficiency of the dye photo-oxidation was established. The optimum conditions, which made it possible to achieve high mineralization and 100 % the dye oxidation efficiency were determined: the catalyst loading equal to 1.0 g/l and the ratio of [H2O2] and [MG] equal to stoichiometric ratio (55 mol/mol). The decrease of the total organic carbon content after photo-oxidation reaction was 56.5%. The average value of the quantum yield of the dye photo-oxidation was to 0.30 mol/Einstein. The results of the conducted research show that the developed iron-containing materials are the promising catalysts for photo-Fenton processes of oxidative degradation of organic compounds. The materials are of interest for use in wastewater treatment processes from toxic organic pollutants.

  5. Sputtering properties of tungsten 'fuzzy' surfaces

    International Nuclear Information System (INIS)

    Nishijima, D.; Baldwin, M.J.; Doerner, R.P.; Yu, J.H.

    2011-01-01

    Sputtering yields of He-induced W 'fuzzy' surfaces bombarded by Ar have been measured in the linear divertor plasma simulator PISCES-B. It is found that the sputtering yield of a fuzzy surface, Y fuzzy , decreases with increasing fuzzy layer thickness, L, and saturates at ∼10% of that of a smooth surface, Y smooth , at L > 1 μm. The reduction in the sputtering yield is suspected to be due mainly to the porous structure of fuzz, since the ratio, Y fuzzy /Y smooth follows (1 - p fuzz ), where p fuzz is the fuzz porosity. Further, Y fuzzy /Y smooth is observed to increase with incident ion energy, E i . This may be explained by an energy dependent change in the angular distribution of sputtered W atoms, since at lower E i , the angular distribution is observed to become more butterfly-shaped. That is, a larger fraction of sputtered W atoms can line-of-sight deposit/stick onto neighboring fuzz nanostructures for lower E i butterfly distributions, resulting in lower ratio of Y fuzzy /Y smooth .

  6. Boosted surface acidity in TiO{sub 2} and Al{sub 2}O{sub 3}-TiO{sub 2} nanotubes as catalytic supports

    Energy Technology Data Exchange (ETDEWEB)

    Camposeco, R. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemistry, UAM-A, 55534, México, D.F. (Mexico); Castillo, S., E-mail: scastill@imp.mx [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico); Department of Chemical Engineering, ESIQIE-IPN, 75876, México, D.F. (Mexico); Mejía-Centeno, Isidro; Navarrete, J.; Nava, N. [Molecular Engineering Program, Mexican Institute of Petroleum, 07730, México, D.F. (Mexico)

    2015-11-30

    Graphical abstract: - Highlights: • Surface acidity of NTs was modified by adding alumina. • Brönsted acid sites remain constant but Lewis acid sites are increased remarkably. • IR characterization by lutidine and pyridine confirms the surface acidity of NTs. • 98% of NO conversion was reached between 380 and 480 °C on NT-5Al. • The boosted surface acidity of NT-Al improves the catalytic activity for SCR-NO. - Abstract: In this study, titanate nanotubes (NT) and titanate nanotubes with alumina (NT-Al) were studied as solid acid catalytic supports to show the relationship between the kind of acidity and catalytic activity. The supports were characterized by XRD, TEM, FTIR, XPS, and tested in the SCR-NO with NH{sub 3}. It was found that the amount of Brönsted acid sites was maintained and the Lewis acid sites were significantly affected by the addition of alumina (1, 3, 5 and 10 wt.%); such acidity was higher than that of the titanate nanotubes (NT) by two-fold. To confirm the formation of titanate nanotubes and titanate nanotubes with alumina, transmission electron microscopy (TEM) was used. X-ray diffraction (XRD) revealed the formation of the H{sub 2}Ti{sub 4}O{sub 9}·H{sub 2}O phase. All NT and NT-Al supports presented catalytic activity to remove NO with NH{sub 3} under lean conditions, confirming the presence of an important amount of Brönsted and Lewis acid sites in both NT and NT-Al supports.

  7. Surface conditions and viscoelastic properties of the denture liner Permaflex.

    Science.gov (United States)

    Buch, D; Beal, Y

    1995-01-01

    This in vitro study evaluated the viscoelastic properties of Permaflex compared to other soft lining materials. The surface condition of this material was also investigated under both laboratory and simulated clinical conditions and with and without the application of a varnish. The tests provided practical instructions for the use of Permaflex, which showed good adaptive properties to stress and surface condition initially and after adjustment.

  8. Structural and catalytic properties of immobilized α-amylase from Laceyella sacchari TSI-2.

    Science.gov (United States)

    Shukla, Rushit J; Singh, Satya P

    2016-04-01

    One of the approaches to address the issues of the cost of production, recovery and reusability of the extremozymes can be immobilization. In this report, we describe immobilization of an α-amylase from Laceyella sacchari TSI-2 and characterization of the immobilized enzyme. The enzyme was immobilized on 6 different matrices using entrapment, ionic binding and surface adsorption. The DEAE cellulose with glutaraldehyde crosslinking appeared most effective for the immobilization with high operational stability. While the temperature optima and thermal stability of the immobilized α-amylase shifted from 60 to 70°C with increased half-life, the pH optima remain unaltered while pH stability was shifted from 6 to 7. The stability of the immobilized enzyme improved in solvents. The enzyme catalysis in surfactants enhanced, while the Km and Vmax were reduced after immobilization. The structural features of the immobilized enzyme as probed by FT-IR established the role of aliphatic amines, esters and alkenes in immobilization. The starch hydrolysis efficiency of the immobilized enzyme was 15.55%. The immobilized enzyme in various detergents was highly efficient in removing the starch stain from cotton cloth. Taken together, the α-amylase turned more stable after immobilization and can be a favored choice for applications. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Atomically Precise Metal Nanoclusters for Catalytic Application

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-18

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

  10. Self-generation of colligative properties at hydrophilic surfaces

    OpenAIRE

    Chaplin, Martin

    2012-01-01

    The generally accepted view of osmotic pressure is that it is a colligative property, along with freezing point depression, boiling point elevation and vapour pressure lowering. These properties ideally depend on the concentration of dissolved solute molecules. Osmotic pressure, however, is also generated, without any solute, at hydrophilic surfaces. Here is presented a rationale and explanation for this phenomenon.

  11. Tailoring Silica Surface Properties by Plasma Polymerization for Elastomer Applications

    NARCIS (Netherlands)

    Tiwari, M.; Dierkes, Wilma K.; Datta, Rabin; Talma, Auke; Noordermeer, Jacobus W.M.; van Ooij, W.J.

    2009-01-01

    The surface properties of reinforcing fillers are a crucial factor for dispersion and filler–polymer interaction in rubber compounds, as they strongly influence the final vulcanized properties of the rubber article. Silica is gaining more and more importance as reinforcing filler for rubbers, as it

  12. Tailoring Silica Surface Properties by Plasma Polymerization for Elastomer Applications

    NARCIS (Netherlands)

    Tiwari, M.; Dierkes, W.K.; Datta, R.N.; Talma, A.G.; Noordermeer, J.W.M.; van Ooij, W.J.

    2011-01-01

    The surface properties of reinforcing fillers are a crucial factor for dispersion and filler–polymer interaction in rubber compounds, as they strongly influence the final vulcanized properties of the rubber article. Silica is gaining more and more importance as reinforcing filler for rubbers, as it

  13. Theoretical studies of mutual diffusivities and surface properties in ...

    Indian Academy of Sciences (India)

    properties, thus underlining the importance of thermodynamic studies for liquid binary alloys. In this study, the transport and surface properties of Cd–Ga liquid alloys are determined from energetics and derivatives from experimental thermodynamic data. Cd–Ga alloys have been studied by many authors [14–16]. The alloy ...

  14. Degradation of Cibacron Red Dye using ZnO as a Catalyst Coated on the Surface of the Glass in the Photo catalytic Process

    International Nuclear Information System (INIS)

    Sumartono, A.; Andayani, W.

    2011-01-01

    Industrial discharges are the main causes of surface and groundwater contamination. Photo catalytic process is one of the methods that could be used to degrade organic compounds that released from industrial wastewater. Photo catalytic process of 10 ppm cibacron red dye with irradiation of UV lamp and ZnO as a catalyst that coated on the surface of the glass the size of 8 cm x 8 cm x 0.4 cm have been studied. Experiments consisting of (i) variation of ZnO catalyst at temperature 200 o C, 300 o C, 400 o C, and 500 o C, and (ii) the efficiency achieved by the resulting ZnO obtained from the best variation in (i) as the UV-photo catalytic agent in degradation of cibacron red dye. The UV irradiation was done at interval time 0; 0.5; 1; 2; ; 4; and 6 hours. Degradation could be achieved using ZnO catalyst at temperature 500 o C, the percentage degradation at 289 nm, 515 nm, and 545 nm were 84.5±1.0%, 100% and 100%, respectively. (author)

  15. Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu

    Science.gov (United States)

    Zhang, Xiao-Jie; Shang, Cheng; Liu, Zhi-Pan

    2017-10-01

    Heterogeneous catalytic reactions on surface and interfaces are renowned for ample intermediate adsorbates and complex reaction networks. The common practice to reveal the reaction mechanism is via theoretical computation, which locates all likely transition states based on the pre-guessed reaction mechanism. Here we develop a new theoretical method, namely, stochastic surface walking (SSW)-Cat method, to resolve the lowest energy reaction pathway of heterogeneous catalytic reactions, which combines our recently developed SSW global structure optimization and SSW reaction sampling. The SSW-Cat is automated and massively parallel, taking a rough reaction pattern as input to guide reaction search. We present the detailed algorithm, discuss the key features, and demonstrate the efficiency in a model catalytic reaction, water-gas shift reaction on Cu(111) (CO + H2O → CO2 + H2). The SSW-Cat simulation shows that water dissociation is the rate-determining step and formic acid (HCOOH) is the kinetically favorable product, instead of the observed final products, CO2 and H2. It implies that CO2 and H2 are secondary products from further decomposition of HCOOH at high temperatures. Being a general purpose tool for reaction prediction, the SSW-Cat may be utilized for rational catalyst design via large-scale computations.

  16. Influence of peracetic acid modification on the physicochemical properties of activated carbon and its performance in the ozone-catalytic oxidation of gaseous benzene

    Science.gov (United States)

    Fang, Ruimei; Huang, Haibao; Huang, Wenjun; Ji, Jian; Feng, Qiuyu; Shu, Yajie; Zhan, Yujie; Liu, Gaoyuan; Xie, Ruijie

    2017-10-01

    Coal based activated carbon (AC) was pretreated by peracetic acid solution and used for supporting Mn catalyst towards oxidation of gaseous benzene by catalytic ozonation. The as-obtained activated carbon was characterized by XPS, BET, SEM, and TG technologies. It indicates that peracetic acid solution modification not only raised the quantity of chemisorbed oxygen or water, and hydroxyl group on activated carbon material surface, but also increased the specific surface area and benzene adsorption capacity of activated carbon. Benzene could be completely removed in 300 min and CO2 selectivity reached to 61.9% over Mn/AC-modified catalyst. A possible catalytic ozonation mechanism of activated carbon which was treated by peracetic acid solution supported Mn catalyst for oxidation of benzene was proposed.

  17. Surface properties and microporosity of polyhydroxybutyrate under scanning electron microscopy

    International Nuclear Information System (INIS)

    Raouf, A.A.; Samsudin, A.R.; Samian, R.; Akool, K.; Abdullah, N.

    2004-01-01

    This study was designed to investigate the surface properties especially surface porosity of polyhydroxybutyrate (PHB) using scanning electron microscopy. PHB granules were sprinkled on the double-sided sticky tape attached on a SEM aluminium stub and sputtered with gold (10nm thickness) in a Polaron SC515 Coater, following which the samples were placed into the SEM specimen chamber for viewing and recording. Scanning electron micrographs with different magnification of PHB surface revealed multiple pores with different sizes. (Author)

  18. Effects of surface treatment on the properties of UV coating

    OpenAIRE

    Guo, Xiaolei; Li, Rongrong; Teng, Yu; Cao, Pingxiang; Wang, Xiaodong (Alice); Ji, Futang

    2015-01-01

    The influence of the surface treatment of raw medium-density fiberboard on the properties of 1st ultraviolet putty coating film and the effects of primer coating arrangement on the qualities of 1st ultraviolet primer film were investigated. With regard to surface roughness and the recorded adhesion of the coating film, there were significant variations when the surface treatment was modified or when the coating arrangement was changed. The findings led to the conclusion that there was a close...

  19. Investigation of physical properties and surface morphology of Cu nanolayer deposited on glass and (Al, Fe) thin films by DC magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Eslami, P.A. [Islamic Azad Univ., North Tehran (Iran, Islamic Republic of). Dept. of Chemistry; Islamic Azad Univ., Tabriz (Iran, Islamic Republic of). Dept. of Science-Applied Chemistry; Laheghi, S.N.; Ghoranneviss, M. [Islamic Azad Univ., Tehran (Iran, Islamic Republic of). Plasma Research Center; Moradi, S. [Islamic Azad Univ., Tehran (Iran, Islamic Republic of). Dept. of Chemistry; Aberumand, P. [Islamic Azad Univ., Tehran (Iran, Islamic Republic of). Science and Research Laboratory Complex

    2008-07-01

    The applications for copper (Cu) thin films with micro or nanostructural dimensions range from catalysis to microelectronic devices. This paper reported on a study in which DC magnetron sputtering was used to coat iron (Fe), copper (Cu) and aluminum (Al) on glass substrate under a particular voltage, time and optimized deposition pressure. The samples were then coated with Cu using the same technique in preparation of different multilayers. Physical properties such as transmission and reflection per cent, magnetic and electrical properties, size and surface morphology were analyzed using data from AFM, XRD, SEM, Four point probe, and magneto resistive spectrophotometers. The study showed that the size, surface morphology and some physical properties of Cu nanolayer depend on substrate materials, surface morphology and physical properties below the nanolayer. Future work will focus on chemical properties such as catalytic and electrochemical properties. Copper nanoparticles will also be synthesized on other materials such as ZnO. 14 refs., 1 tab., 3 figs.

  20. Effects of Acid Treatment on the Acidic Properties and Catalytic Activity of MCM-41 for the Oxidative Dehydrogenation of Isobutane

    OpenAIRE

    Ehiro, Takuya; Itagaki, Ai; Misu, Hisanobu; Nakagawa, Keizo; Katoh, Masahiro; Katou, Yuuki; Ninomiya, Wataru; Sugiyama, Shigeru

    2016-01-01

    Mesoporous silicas have shown promise as materials for solid catalysts or catalyst supports due to their unique characteristics. Metal-doped mesoporous silicas are known to be catalytically active in the oxidative dehydrogenation (ODH) of isobutane. However, heavy-metal-free mesoporous silicas have not been studied closely for their use as catalysts. In the present study, MCM-41 (#41 Mobil composition of matter) was acid-treated to enhance its catalytic activity, although pure MCM-41 was conf...

  1. 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.

  2. The surface behaviour and catalytic properties of Nd 2-X Sr X CoO 4 ...

    African Journals Online (AJOL)

    The mixed oxides, Nd2-XSrXCoO4±λ (0.4 ≤ x ≤ 1.2), (λ = non-stochiometric oxygen) with the K2NiF4 structure were prepared by the polyglycol gel method and used as catalysts for NO reduction. The samples were investigated by IR, TPD, TPR, and XRD methods and iodometry and the effects of the coefficient x on the ...

  3. Adsorption and catalytic hydrolysis of carbaryl and atrazine on pig manure-derived biochars: Impact of structural properties of biochars

    International Nuclear Information System (INIS)

    Zhang, Peng; Sun, Hongwen; Yu, Li; Sun, Tieheng

    2013-01-01

    Highlights: ► High ash content biochar can increase solution pH and released metal ions. ► Ash in biochar can combine pesticide through specific interactions. ► Composition and structure of biochar is favor for the hydrolysis of pesticides. -- Abstract: Biochars were produced from pig manure to elucidate the influence of biochars with high ash contents on the fate of pesticides. Adsorption and catalytic hydrolysis of carbaryl and atrazine on original biochars and deashed biochars were investigated. The two pesticides were substantially adsorbed by the biochars, with organic carbon normalized sorption coefficient (K oc ) values of 10 2.65 –10 3.66 L/kg for carbaryl and 10 1.90 –10 3.57 L/kg for atrazine at C e of 0.5 mg/L. Hydrophobic effect alone could not explain the sorption, and several other processes including pore-filling and π–π electron donor–acceptor interactions were involved in pesticide adsorption. Adsorption increased greatly on the deashed biochar, indicating that some organic sorption sites in the original biochars were blocked or difficult to access due to their interactions with inorganic moiety. The pesticides were found to hydrolyze faster in the presence of biochars, and in the presence of biochar pyrolyzed at 700 °C, carbaryl and atrazine were decomposed by 71.8% and 27.9% in 12 h, respectively. The elevated solution pH was the main reason for the enhanced hydrolysis; however both the mineral surface and dissolved metal ions released from the biochars were confirmed to catalyze the hydrolysis

  4. Combined UHV/high-pressure catalysis setup for depth-resolved near-surface spectroscopic characterization and catalytic testing of model catalysts

    International Nuclear Information System (INIS)

    Mayr, Lukas; Klötzer, Bernhard; Penner, Simon; Rameshan, Raffael; Rameshan, Christoph

    2014-01-01

    An ultra-high vacuum (UHV) setup for “real” and “inverse” model catalyst preparation, depth-resolved near-surface spectroscopic characterization, and quantification of catalytic activity and selectivity under technologically relevant conditions is described. Due to the all-quartz reactor attached directly to the UHV-chamber, transfer of the catalyst for in situ testing without intermediate contact to the ambient is possible. The design of the UHV-compatible re-circulating batch reactor setup allows the study of reaction kinetics under close to technically relevant catalytic conditions up to 1273 K without contact to metallic surfaces except those of the catalyst itself. With the attached differentially pumped exchangeable evaporators and the quartz-microbalance thickness monitoring equipment, a reproducible, versatile, and standardised sample preparation is possible. For three-dimensional near-surface sample characterization, the system is equipped with a hemispherical analyser for X-ray photoelectron spectroscopy (XPS), electron-beam or X-ray-excited Auger-electron spectroscopy, and low-energy ion scattering measurements. Due the dedicated geometry of the X-ray gun (54.7°, “magic angle”) and the rotatable sample holder, depth analysis by angle-resolved XPS measurements can be performed. Thus, by the combination of characterisation methods with different information depths, a detailed three-dimensional picture of the electronic and geometric structure of the model catalyst can be obtained. To demonstrate the capability of the described system, comparative results for depth-resolved sample characterization and catalytic testing in methanol steam reforming on PdGa and PdZn near-surface intermetallic phases are shown

  5. Dependence of catalytic properties of Al/Fe{sub 2}O{sub 3} thermites on morphology of Fe{sub 2}O{sub 3} particles in combustion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Ningning; He, Cuicui; Liu, Jianbing [School of Chemical Engineering, Northwest University, Shaanxi, Xi' an 710069 (China); Gong, Hujun [State Key Laboratory of Continental Dynamics, Northwest University, Shaanxi, Xi' an 710069 (China); An, Ting; Xu, Huixiang; Zhao, Fengqi; Hu, Rongzu [Science and Technology on Combustion and Explosion Laboratory, Xi' an Modern Chemistry Research Institute, Shaanxi, Xi' an 710065 (China); Ma, Haixia, E-mail: mahx@nwu.edu.cn [School of Chemical Engineering, Northwest University, Shaanxi, Xi' an 710069 (China); Department of Chemistry and Biochemistry, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States); Zhang, Jinzhong, E-mail: zhang@ucsc.edu [Department of Chemistry and Biochemistry, University of California, 1156 High Street, Santa Cruz, CA 95064 (United States)

    2014-11-15

    Three Fe{sub 2}O{sub 3} particle samples with the same crystal structure but different morphologies were prepared by the hydrothermal method and then combined with Al nanoparticles to produce Al/Fe{sub 2}O{sub 3} thermites using ultrasonic mixing. The properties of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} were studied using a combination of experimental techniques including scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). The influences of the three Al/Fe{sub 2}O{sub 3} thermites on the combustion properties of the AP/HTPB (ammonium perchlorate/hydroxyl-terminated polybutadiene) composite propellant were investigated in comparison to those of Fe{sub 2}O{sub 3}. The results show that the Al/Fe{sub 2}O{sub 3} thermites are better than Fe{sub 2}O{sub 3} in enhancing the combustion performance of AP/HTPB. Furthermore, the surface area, which depends on size and mophology, of Fe{sub 2}O{sub 3} particles was found to play a vital role in improving the burning rate of the thermites-containing propellant formulation, with the smallest particles with the largest surface-to-volume (S/V) ratio performing the best. The enhanced catalytic property of the granular-shape Fe{sub 2}O{sub 3} and the corresponding thermite is attributed to the large specific surface area of Fe{sub 2}O{sub 3}. The different thermal behaviors of these three superthemites were supposed to be attributed to the surface site of Fe{sub 2}O{sub 3} particles. This work provides a better understanding on the catalytic properties of thermites that are important for combustion applications. - Graphical abstract: Effects of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} have been compared for the first time by analyzing combustion properties of formulations containing them, suggesting their potential application in AP/HTPB composite propellant systems. - Highlights:

  6. Physicochemical properties of manganese dioxide synthesized using C2–C5 alcohols as reducing agents and their catalytic activities for CO oxidation

    KAUST Repository

    Lee, Young-Ho

    2015-09-26

    MnO2 catalysts were synthesized in an aqueous solution of KMnO4 and C2–C5 alcohols using a simple redox method at room temperature. The crystalline structure of all samples was δ-MnO2 after being calcined at 300 °C. However, other physicochemical properties of the samples varied depending on the symmetry of the alcohols used. For the catalytic oxidation of CO, MnO2 catalysts prepared with 1° alcohols performed better than the samples prepared in 2° alcohols. Catalytic activities were correlated to the quantity of labile oxygen species of the catalysts. In CO-TPD analysis, the relative area of desorbed radical dotCO2, which is the product of the reaction between adsorbed CO and lattice oxygen species, becomes larger for MnO2 prepared with 1° alcohols than with 2° alcohols. These results were primarily resulted from the innate hydrogen dissociation behavior of alcohol in solution. The pKa was found to be an important factor in determining the physicochemical properties and catalytic activity toward CO oxidation of MnO2.

  7. Investigation of the surface adsorption and biotribological properties of mucins

    DEFF Research Database (Denmark)

    Madsen, Jan Busk

    to a surface. However, in other instances the inverse properties are desirable. Mucins are found on epithelial surfaces throughout the body and are a key component of the mucus barrier. Here, they facilitate friction reduction, thus lowering the impact of physical abrasions, but they also act as a physical...... and their aqueous lubrication properties have led to them being proposed as possible biocompatible lubricants. In this thesis, we investigate the biotribological properties of two commercially available mucins on the soft, elastomeric and hydrophobic surface of PDMS under different conditions. Due to the presence...... of a significant amount of non-mucin biomolecules in the commercial mucins, a mild single column protein purification protocol was established. In the mucin biotribology community, many employ the mucins either “as received” or after dialysis. It was therefore investigated how the established purification process...

  8. Effective modification of particle surface properties using ultrasonic water mist

    DEFF Research Database (Denmark)

    Genina, Natalja; Räikkönen, Heikki; Heinämäki, Jyrki

    2009-01-01

    The goal of the present study was to design a new technique to modify particle surface properties and, through that, to improve flowability of poorly flowing drug thiamine hydrochloride and pharmaceutical sugar lactose monohydrate of two different grades. The powdered particles were supplied...... properties. It was found that rapid exposition of pharmaceutical materials by water mist resulted in the improvement of powder technical properties. The evident changes in flowability of coarser lactose were obviously due to smoothing of particle surface and decreasing in the level of fines with very slight...... increment in particle size. The changes in thiamine powder flow were mainly due to narrowing in particle size distribution where the tendency for better flow of finer lactose was related to surface and size modifications. The aqueous mist application did not cause any alteration of the crystal structures...

  9. Computational Study of Nb-Doped-SnO2/Pt Interfaces: Dopant Segregation, Electronic Transport, and Catalytic Properties

    DEFF Research Database (Denmark)

    Fu, Qiang; Halck, Niels Bendtsen; Hansen, Heine Anton

    2017-01-01

    functional theory and non equilibrium Green's function study, we investigate the Nb segregation at Pt/NTO interfaces under operational electrochemical conditions, and reveal the resulting effects on the electronic transport, as well as the catalytic properties. We find that the Nb dopants tend to aggregate......Carbon black, a state-of-the-art cathode material for proton exchange membrane fuel cells (PEMFCs), suffers from severe corrosion in practical applications. Niobium-doped tin dioxide (NTO) is a promising alternative to support the Pt catalysts at the cathodes. Here, through a combined density....... The electronic conductivities of the Pt/NTO systems are not particularly sensitive to the distance of the Nb dopants relative to the interface, but depend explicitly on the Nb concentration and configuration. Through a dopant induced ligand effect, the NTO substrates can improve the catalytic activity of the Pt...

  10. Determination of the positions of aluminum atoms introduced into SSZ-35 and the catalytic properties of the generated Brønsted acid sites.

    Science.gov (United States)

    Miyaji, Akimitsu; Kimura, Nobuhiro; Shiga, Akinobu; Hayashi, Yoshihiro; Nishitoba, Toshiki; Motokura, Ken; Baba, Toshihide

    2017-03-01

    The positions of aluminum (Al) atoms in SSZ-35 together with the characteristics of the generated protons were investigated by 27 Al multiple quantum magic-angle spinning (MQ-MAS), 29 Si MAS, and 1 H MAS NMR data analyses accompanied by a variable temperature 1 H MAS NMR analysis. The origin of the acidic -OH groups (Brønsted acid sites) generated by introducing Al atoms into the T sites was investigated and the T sites introduced into the Al atoms were revealed. To further determine the catalytic properties of the acidic protons generated in SSZ-35, the influence of the concentration of the Al atoms on the catalytic activity and selectivity during the transformation of toluene was examined.

  11. Relating Silica Scaling in Reverse Osmosis to Membrane Surface Properties.

    Science.gov (United States)

    Tong, Tiezheng; Zhao, Song; Boo, Chanhee; Hashmi, Sara M; Elimelech, Menachem

    2017-04-18

    We investigated the relationship between membrane surface properties and silica scaling in reverse osmosis (RO). The effects of membrane hydrophilicity, free energy for heterogeneous nucleation, and surface charge on silica scaling were examined by comparing thin-film composite polyamide membranes grafted with a variety of polymers. Results show that the rate of silica scaling was independent of both membrane hydrophilicity and free energy for heterogeneous nucleation. In contrast, membrane surface charge demonstrated a strong correlation with the extent of silica scaling (R 2 > 0.95, p scaling, whereas a more negative membrane surface charge led to reduced scaling. This observation suggests that deposition of negatively charged silica species on the membrane surface plays a critical role in silica scale formation. Our findings provide fundamental insights into the mechanisms governing silica scaling in reverse osmosis and highlight the potential of membrane surface modification as a strategy to reduce silica scaling.

  12. Determination of Surface Properties of Liquid Transition Metals

    International Nuclear Information System (INIS)

    Korkmaz, S. D.

    2008-01-01

    Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure

  13. The effect of catalyst preparation on catalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, J.A.

    1992-01-01

    Three intrinsically connected phenomena occur during adsorption/impregnation of aqueous electrolytes onto oxide carriers. They are: pH-dependent development of surface carriers on the oxide; pH-dependent aqueous speciation of catalytic precursors; surface adsorption by complexation and coordination. Modeling of these processes yields basic thermodynamic properties of the adsorbed phase, which could provide useful information of the catalytic properties of the metal, support, and reveal metal-support interactions, thus contributing to design criteria for supported-metal catalysts. The spectrum of catalytic systems that can be studied using the above approach is greatly extended when both pure and composite oxide carriers are considered. This presentation will focus on three metal/support systems, each of which provides results of both practical and fundamental importance.

  14. The surface properties of biopolymer-coated fruit: A review

    Directory of Open Access Journals (Sweden)

    Diana Cristina Moncayo Martinez

    2013-09-01

    Full Text Available Environmental conservation concerns have led to research and development regarding biodegradable materials from biopolymers, leading to new formulations for edible films and coatings for preserving the quality of fresh fruit and vegetables. Determining fruit skin surface properties for a given coating solution has led to predicting coating efficiency. Wetting was studied by considering spreading, adhesion and cohesion and measuring the contact angle, thus optimising the coating formulation in terms of biopolymer, plasticiser, surfactant, antimicrobial and antioxidant concentration. This work reviews the equations for determining fruit surface properties by using polar and dispersive interaction calculations and by determining the contact angle.

  15. Properties of water surface discharge at different pulse repetition rates

    International Nuclear Information System (INIS)

    Ruma,; Yoshihara, K.; Hosseini, S. H. R.; Sakugawa, T.; Akiyama, H.; Akiyama, M.; Lukeš, P.

    2014-01-01

    The properties of water surface discharge plasma for variety of pulse repetition rates are investigated. A magnetic pulse compression (MPC) pulsed power modulator able to deliver pulse repetition rates up to 1000 Hz, with 0.5 J per pulse energy output at 25 kV, was used as the pulsed power source. Positive pulse with a point-to-plane electrode configuration was used for the experiments. The concentration and production yield of hydrogen peroxide (H 2 O 2 ) were quantitatively measured and orange II organic dye was treated, to evaluate the chemical properties of the discharge reactor. Experimental results show that the physical and chemical properties of water surface discharge are not influenced by pulse repetition rate, very different from those observed for under water discharge. The production yield of H 2 O 2 and degradation rate per pulse of the dye did not significantly vary at different pulse repetition rates under a constant discharge mode on water surface. In addition, the solution temperature, pH, and conductivity for both water surface and underwater discharge reactors were measured to compare their plasma properties for different pulse repetition rates. The results confirm that surface discharge can be employed at high pulse repetition rates as a reliable and advantageous method for industrial and environmental decontamination applications.

  16. Influence of surface roughness on the friction property of textured surface

    OpenAIRE

    Yuankai Zhou; Hua Zhu; Wenqian Zhang; Xue Zuo; Yan Li; Jianhua Yang

    2015-01-01

    In contrast with dimple textures, surface roughness is a texture at the micro-scale, essentially which will influence the load-bearing capacity of lubricant film. The numerical simulation was carried out to investigate the influence of surface roughness on friction property of textured surface. The lubricant film pressure was obtained using the method of computational fluid dynamics according to geometric model of round dimple, and the renormalization-group k–ε turbulent model was adopted in ...

  17. Effect of the L499M mutation of the ascomycetous Botrytis aclada laccase on redox potential and catalytic properties

    International Nuclear Information System (INIS)

    Osipov, Evgeny; Polyakov, Konstantin; Kittl, Roman; Shleev, Sergey; Dorovatovsky, Pavel; Tikhonova, Tamara; Hann, Stephan; Ludwig, Roland; Popov, Vladimir

    2014-01-01

    The structures of the ascomycetous B. aclada laccase and its L499M T1-site mutant have been solved at 1.7 Å resolution. The mutant enzyme shows a 140 mV lower redox potential of the type 1 copper and altered kinetic behaviour. The wild type and the mutant have very similar structures, which makes it possible to relate the changes in the redox potential to the L499M mutation Laccases are members of a large family of multicopper oxidases that catalyze the oxidation of a wide range of organic and inorganic substrates accompanied by the reduction of dioxygen to water. These enzymes contain four Cu atoms per molecule organized into three sites: T1, T2 and T3. In all laccases, the T1 copper ion is coordinated by two histidines and one cysteine in the equatorial plane and is covered by the side chains of hydrophobic residues in the axial positions. The redox potential of the T1 copper ion influences the enzymatic reaction and is determined by the nature of the axial ligands and the structure of the second coordination sphere. In this work, the laccase from the ascomycete Botrytis aclada was studied, which contains conserved Ile491 and nonconserved Leu499 residues in the axial positions. The three-dimensional structures of the wild-type enzyme and the L499M mutant were determined by X-ray crystallography at 1.7 Å resolution. Crystals suitable for X-ray analysis could only be grown after deglycosylation. Both structures did not contain the T2 copper ion. The catalytic properties of the enzyme were characterized and the redox potentials of both enzyme forms were determined: E 0 = 720 and 580 mV for the wild-type enzyme and the mutant, respectively. Since the structures of the wild-type and mutant forms are very similar, the change in the redox potential can be related to the L499M mutation in the T1 site of the enzyme

  18. Reversible Surface Properties of Polybenzoxazine/Silica Nanocomposites Thin Films

    Directory of Open Access Journals (Sweden)

    Wei-Chen Su

    2013-01-01

    Full Text Available We report the reversible surface properties (hydrophilicity, hydrophobicity of a polybenzoxazine (PBZ thin film through simple application of alternating UV illumination and thermal treatment. The fraction of intermolecularly hydrogen bonded O–H⋯O=C units in the PBZ film increased after UV exposure, inducing a hydrophilic surface; the surface recovered its hydrophobicity after heating, due to greater O–H⋯N intramolecular hydrogen bonding. Taking advantage of these phenomena, we prepared a PBZ/silica nanocomposite coating through two simple steps; this material exhibited reversible transitions from superhydrophobicity to superhydrophilicity upon sequential UV irradiation and thermal treatment.

  19. Enhancement of surface properties for coal beneficiation. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Chander, S.; Aplan, F.F.

    1992-01-30

    This report will focus on means of pyrite removal from coal using surface-based coal cleaning technologies. The major subjects being addressed in this study are the natural and modulated surface properties of coal and pyrite and how they may best be utilized to facilitate their separation using advanced surface-based coal cleaning technology. Emphasis is based on modified flotation and oil agglomerative processes and the basic principles involved. The four areas being addressed are: (1) Collectorless flotation of pyrite; (2) Modulation of pyrite and coal hydrophobicity; (3) Emulsion processes and principles; (4) Evaluation of coal hydrophobicity.

  20. Decreased catalytic activity and altered activation properties of PDE6C mutants associated with autosomal recessive achromatopsia

    DEFF Research Database (Denmark)

    Grau, Tanja; Artemyev, Nikolai O; Rosenberg, Thomas

    2011-01-01

    Mutations in the gene encoding the catalytic subunit of the cone photoreceptor phosphodiesterase (PDE6C) have been recently reported in patients with autosomal recessive inherited achromatopsia (ACHM) and early-onset cone photoreceptor dysfunction. Here we present the results of a comprehensive...

  1. Synthesis, characterization and catalytic properties of nanocrystaline Y{sub 2}O{sub 3}-coated TiO{sub 2} in the ethanol dehydration reaction

    Energy Technology Data Exchange (ETDEWEB)

    Fajardo, Humberto Vieira [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Departamento de Quimica; Longo, Elson [Universidade Estadual Paulista (UNESP), Araraquara, SP (Brazil). Departamento de Fisico-Quimica; Leite, Edson Roberto; Libanori, Rafael [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Quimica; Probst, Luiz Fernando Dias [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil). Departamento de Quimica; Carreno, Neftali Lenin Villarreal [Universidade Federal de Pelotas (UFPel), RS (Brazil). Departamento de Quimica Analitica e Inorganica

    2012-03-15

    In the present study, TiO{sub 2} nano powder was partially coated with Y{sub 2}O{sub 3} precursors generated by a sol-gel modified route. The system of nanocoated particles formed an ultra thin structure on the TiO{sub 2} surfaces. The modified nanoparticles were characterized by high resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD) analysis, Zeta potential and surface area through N{sub 2} physisorption measurements. Bioethanol dehydration was used as a probe reaction to investigate the modifications on the nanoparticles surface. The process led to the obtainment of nanoparticles with important surface characteristics and catalytic behavior in the bioethanol dehydration reaction, with improved activity and particular selectivity in comparison to their non-coated analogs. The ethylene production was disfavored and selectivity toward acetaldehyde, hydrogen and ethane increased over modified nanoparticles. (author)

  2. Synthesis, characterization and catalytic properties of nanocrystaline Y2O3-coated TiO2 in the ethanol dehydration reaction

    Directory of Open Access Journals (Sweden)

    Humberto Vieira Fajardo

    2012-04-01

    Full Text Available In the present study, TiO2 nanopowder was partially coated with Y2O3 precursors generated by a sol-gel modified route. The system of nanocoated particles formed an ultra thin structure on the TiO2 surfaces. The modified nanoparticles were characterized by high resolution transmission electron microscopy (HR-TEM, X-ray diffraction (XRD analysis, Zeta potential and surface area through N2 fisisorption measurements. Bioethanol dehydration was used as a probe reaction to investigate the modifications on the nanoparticles surface. The process led to the obtainment of nanoparticles with important surface characteristics and catalytic behavior in the bioethanol dehydration reaction, with improved activity and particular selectivity in comparison to their non-coated analogs. The ethylene production was disfavored and selectivity toward acetaldehyde, hydrogen and ethane increased over modified nanoparticles.

  3. CATALYTIC KINETIC SPECTROPHOTOMETRIC DETERMINATION ...

    African Journals Online (AJOL)

    Based on the property that in 0.12 M sulfuric acid medium titanium(IV) catalyzes the discoloring reaction of DBS-arsenazo oxidized by potassium bromate, a new catalytic kinetic spectrophotometric method for the determination of trace titanium (IV) was developed. The linear range of the determination of titanium is

  4. Laser alloying of aluminium to improve surface properties - MSSA 2010

    CSIR Research Space (South Africa)

    Mabhali, Luyolo AB

    2010-07-01

    Full Text Available Aluminium is vastly used in industry due to its low cost, light weight and excellent workability, but lacks in wear resistance and hardness. Laser alloying is used to improve the surface properties such as hardness by modifying the composition...

  5. Final Technical Report for DOE Grant, number DE-FG02-05ER15701; Probing Surface Chemistry Under Catalytic Conditions: Olefin Hydrogenation,Cyclization and Functionalization.

    Energy Technology Data Exchange (ETDEWEB)

    Neurock, Matthew

    2011-05-26

    The specific goal of this work was to understanding the catalytic reactions pathways for the synthesis of vinyl acetate over Pd, Au and PdAu alloys. A combination of both experimental methods (X-ray and Auger spectroscopies, low-energy ion scattering (LEIS), low-energy electron diffraction (LEED) and theory (Density Functional Theory (DFT) calculations and Monte Carlo methods under various different reactions) were used to track the surface chemistry and the influence of alloying. The surface intermediates involved in the various reactions were characterized using reflection-absorption infrared spectroscopy and LEED to identify the nature of the surface species and temperature-programmed desorption (TPD) to follow the decomposition pathways and measure heats of adsorption. These results along with those from density functional theoretical calculations were used determine the kinetics for elementary steps. The results from this work showed that the reaction proceeds via the Samanos mechanism over Pd surfaces whereby the ethylene directly couples with acetate to form an acetoxyethyl intermediate that subsequently undergoes a beta-hydride elimination to form the vinyl acetate monomer. The presence of Au was found to modify the adsorption energies and surface coverages of important surface intermediates including acetate, ethylidyne and ethylene which ultimately influences the critical C-H activation and coupling steps. By controlling the surface alloy composition or structure one can begin to control the steps that control the rate and even the mechanism.

  6. Experimental Analysis of Grease Friction Properties on Sliding Textured Surfaces

    Directory of Open Access Journals (Sweden)

    Xijun Hua

    2017-10-01

    Full Text Available There is comprehensive work on the tribological properties and lubrication mechanisms of oil lubricant used on textured surfaces, however the use of grease lubrication on textured surfaces is rather new. This research article presents an experimental study of the frictional behaviours of grease lubricated sliding contact under mixed lubrication conditions. The influences of surface texture parameters on the frictional properties were investigated using a disc-on-ring tribometer. The results showed that the friction coefficient is largely dependent on texture parameters, with higher and lower texture density resulting in a higher friction coefficient at a fixed texture depth. The sample with texture density of 15% and texture depth of 19 μm exhibited the best friction properties in all experimental conditions because it can store more grease and trap wear debris. The reduction of friction is mainly attributable to the formation of a stable grease lubrication film composed of oil film, transfer film and deposited film, and the hydrodynamic pressure effect of the surface texture, which increases the mating gap and reduces the probability of asperity contact. This result will help in understanding the tribological behaviour of grease on a textured surface and in predicting the lubrication conditions of sliding bearings for better operation in any machinery.

  7. Heterostructured Copper-Ceria and Iron-Ceria Nanorods: Role of Morphology, Redox, and Acid Properties in Catalytic Diesel Soot Combustion.

    Science.gov (United States)

    Sudarsanam, Putla; Hillary, Brendan; Amin, Mohamad Hassan; Rockstroh, Nils; Bentrup, Ursula; Brückner, Angelika; Bhargava, Suresh K

    2018-02-27

    This work reports the synthesis of heterostructured copper-ceria and iron-ceria nanorods and the role of their morphology, redox, and acid properties in catalytic diesel soot combustion. Microscopy images show the presence of nanocrystalline CuO (9.5 ± 0.5 nm) and Fe 2 O 3 (7.3 ± 0.5 nm) particles on the surface of CeO 2 nanorods (diameter is 8.5 ± 2 nm and length within 16-89 nm). In addition to diffraction peaks of CuO and Fe 2 O 3 nanocrystallites, X-ray diffraction (XRD) studies reveal doping of Cu 2+ and Fe 3+ ions into the fluorite lattice of CeO 2 , hence abundant oxygen vacancies in the Cu/CeO 2 and Fe/CeO 2 nanorods, as evidenced by Raman spectroscopy studies. XRD and Raman spectroscopy studies further show substantial perturbations in Cu/CeO 2 rods, resulting in an improved reducibility of bulk cerium oxide and formation of abundant Lewis acid sites, as investigated by H 2 -temperature-programmed reduction and pyridine-adsorbed Fourier transform infrared studies, respectively. The Cu/CeO 2 rods catalyze the soot oxidation reaction at the lowest temperatures under both tight contact (Cu/CeO 2 ; T50 = 358 °C, temperature at which 50% soot conversion is achieved, followed by Fe/CeO 2 ; T50 = 368 °C and CeO 2 ; T50 = 433 °C) and loose contact conditions (Cu/CeO 2 ; T50 = 419 °C and Fe/CeO 2 ; T50 = 435 °C). A possible mechanism based on the synergetic effect of redox and acid properties of Cu/CeO 2 nanorods was proposed: acid sites can activate soot particles to form reactive carbon species, which are oxidized by gaseous oxygen/lattice oxygen activated in the oxygen vacancies (redox sites) of ceria rods.

  8. Study of surface tension and surface properties of binary alcohol/n-alkyl acetate mixtures.

    Science.gov (United States)

    Rafati, Amir Abbas; Ghasemian, Ensieh

    2008-12-15

    The Butler equation is employed to describe quantitatively the nature, properties, and compositions of surface layers in binary liquid mixtures. Bulk mole fraction, surface molar area, and surface tension of pure components are necessary inputs for this equation. In addition, the UNIFAC group contribution method is applied to account for the nonideality of the bulk liquid as well as that of the surface layer. The average relative error obtained from the comparison of experimental and calculated surface tension values for 12 binary systems is less than 1%. Therefore, the model has good accuracy in comparison with other predictive equations. In addition to finding more information about the surface structure of binary mixtures, surface mole fraction was calculated using relative Gibbs adsorption values and an extended Langmuir model (EL). The obtained results show a good consistency between two models employed, i.e., the Gibbs adsorption model and EL model, based on the UNIFAC method.

  9. Preparation and electrocatalytic oxidation properties of a nickel pentacyanonitrosylferrate modified carbon composite electrode by two-step sol-gel technique: improvement of the catalytic activity

    International Nuclear Information System (INIS)

    Salimi, Abdollah; Abdi, Kamaleddin; Khayatiyan, Gholam-Reza

    2004-01-01

    The sol-gel technique was used to construct nickel pentacyanonitrosylferrate (NiPCNF) modified composite ceramic carbon electrodes (CCEs). This involves two steps: forming a CCE containing Ni powder and then immersing the electrode into a sodium pentacyanonitrosyl-ferrate solution (electroless deposition). The cyclic voltammograms of the resulting surface modified CCE under optimum conditions show a well-defined redox couple due to the [Ni II Fe III/II (CN) 5 NO] 0/-1 system. The electrochemical properties and stability of the modified electrode were investigated by cyclic voltammetry. The apparent electron transfer rate constant (k s ) and transfer coefficient (α) were determined by cyclic voltammetry being about 1.1 s -1 and 0.55, respectively. Sulfite has been chosen as a model to elucidate the electrocatalytic ability of NiPCNF-modified CCE prepared by one- or two-step sol-gel technique. The modified electrode showed excellent electrocatalytic activity toward the SO 3 2- electro oxidation in pH range 3-9 in comparison with CCE modified by homogeneous mixture of graphite powder, Ni(NO 3 ) 2 and Na 2 [Fe(CN) 5 NO] (one-step sol-gel technique). Sulfite was determined amperometrically at the surface of this modified electrode in pH 7. Under the optimized conditions the calibration curve is linear in the concentration range 2 μM to 2.0 mM. The detection limit (signal-to-noise is 3) and sensitivity are 0.5 μM and 13.5 nA/μM. The modified carbon ceramic electrode containing nickel pentacyanonitrosylferrate shows good repeatability, short response time, t (90%) 2 [Fe(CN) 5 NO] solution. The advantages of the SO 3 2- amperometrically detector based on the nickel pentacyanonitrosylferrate-doped CCE is high sensitivity, inherent stability at wide pH range, excellent catalytic activity and less expense and simplicity of preparation. This sensor can be used as amperometric detector in chromatographic instruments

  10. Membranes with Surface-Enhanced Antifouling Properties for Water Purification

    Science.gov (United States)

    Shahkaramipour, Nima; Tran, Thien N.; Ramanan, Sankara; Lin, Haiqing

    2017-01-01

    Membrane technology has emerged as an attractive approach for water purification, while mitigation of fouling is key to lower membrane operating costs. This article reviews various materials with antifouling properties that can be coated or grafted onto the membrane surface to improve the antifouling properties of the membranes and thus, retain high water permeance. These materials can be separated into three categories, hydrophilic materials, such as poly(ethylene glycol), polydopamine and zwitterions, hydrophobic materials, such as fluoropolymers, and amphiphilic materials. The states of water in these materials and the mechanisms for the antifouling properties are discussed. The corresponding approaches to coat or graft these materials on the membrane surface are reviewed, and the materials with promising performance are highlighted. PMID:28273869

  11. Surface Reduced CeO2 Nanowires for Direct Conversion of CO2 and Methanol to Dimethyl Carbonate: Catalytic Performance and Role of Oxygen Vacancy

    Directory of Open Access Journals (Sweden)

    Zhongwei Fu

    2018-04-01

    Full Text Available Ultralong 1D CeO2 nanowires were synthesized via an advanced solvothermal method, surface reduced under H2 atmosphere, and first applied in direct synthesis of dimethyl carbonate (DMC from CO2 and CH3OH. The micro morphologies, physical parameters of nanowires were fully investigated by transmission electron microscopy (TEM, X-ray diffraction (XRD, N2 adsorption, X-ray photoelectron spectrum (XPS, and temperature-programmed desorption of ammonia/carbon dioxide (NH3-TPD/CO2-TPD. The effects of surface oxygen vacancy and acidic/alkaline sites on the catalytic activity was explored. After reduction, the acidic/alkaline sites of CeO2 nanowires can be dramatically improved and evidently raised the catalytic performance. CeO2 nanowires reduced at 500 °C (CeO2_NW_500 exhibited notably superior activity with DMC yield of 16.85 mmol gcat−1. Furthermore, kinetic insights of initial rate were carried out and the apparent activation energy barrier of CeO2_NW_500 catalyst was found to be 41.9 kJ/mol, much tiny than that of CeO2_NW catalyst (74.7 KJ/mol.

  12. Mechanical and tribological properties of ion beam-processed surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kodali, Padma [Univ. of Maryland, College Park, MD (United States)

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness.

  13. Mechanical and tribological properties of ion beam-processed surfaces

    International Nuclear Information System (INIS)

    Kodali, P.

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness

  14. Perovskite-type catalytic materials for environmental applications.

    Science.gov (United States)

    Labhasetwar, Nitin; Saravanan, Govindachetty; Kumar Megarajan, Suresh; Manwar, Nilesh; Khobragade, Rohini; Doggali, Pradeep; Grasset, Fabien

    2015-06-01

    Perovskites are mixed-metal oxides that are attracting much scientific and application interest owing to their low price, adaptability, and thermal stability, which often depend on bulk and surface characteristics. These materials have been extensively explored for their catalytic, electrical, magnetic, and optical properties. They are promising candidates for the photocatalytic splitting of water and have also been extensively studied for environmental catalysis applications. Oxygen and cation non-stoichiometry can be tailored in a large number of perovskite compositions to achieve the desired catalytic activity, including multifunctional catalytic properties. Despite the extensive uses, the commercial success for this class of perovskite-based catalytic materials has not been achieved for vehicle exhaust emission control or for many other environmental applications. With recent advances in synthesis techniques, including the preparation of supported perovskites, and increasing understanding of promoted substitute perovskite-type materials, there is a growing interest in applied studies of perovskite-type catalytic materials. We have studied a number of perovskites based on Co, Mn, Ru, and Fe and their substituted compositions for their catalytic activity in terms of diesel soot oxidation, three-way catalysis, N 2 O decomposition, low-temperature CO oxidation, oxidation of volatile organic compounds, etc. The enhanced catalytic activity of these materials is attributed mainly to their altered redox properties, the promotional effect of co-ions, and the increased exposure of catalytically active transition metals in certain preparations. The recent lowering of sulfur content in fuel and concerns over the cost and availability of precious metals are responsible for renewed interest in perovskite-type catalysts for environmental applications.

  15. The synthesis of porous Co{sub 3}O{sub 4} micro cuboid structures by solvothermal approach and investigation of its gas sensing properties and catalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Jamil, Saba, E-mail: saba_hrb@yahoo.com [Key Laboratory of Superlight Material and Surface Technology, Ministry of Education, Harbin Engineering University, 150001 (China); Jing, Xiaoyan [Key Laboratory of Superlight Material and Surface Technology, Ministry of Education, Harbin Engineering University, 150001 (China); Institute of Advanced Marine Materials, Harbin Engineering University, 150001 (China); Wang, Jun, E-mail: zhqw1888@sohu.com [Key Laboratory of Superlight Material and Surface Technology, Ministry of Education, Harbin Engineering University, 150001 (China); Li, Songnan; Liu, Jingyuan [Key Laboratory of Superlight Material and Surface Technology, Ministry of Education, Harbin Engineering University, 150001 (China); Zhang, Milin [Key Laboratory of Superlight Material and Surface Technology, Ministry of Education, Harbin Engineering University, 150001 (China); Institute of Advanced Marine Materials, Harbin Engineering University, 150001 (China)

    2013-11-15

    Graphical abstract: - Highlights: • Micro cuboid Co{sub 3}O{sub 4} particle prepared by solvothermal method. • Study of morphology of synthesized cuboids before and after calcinations. • Investigation of formation mechanism of porous Co{sub 3}O{sub 4} from cuboid CoCO{sub 3}. • Investigation of gas sensing properties of porous Co{sub 3}O{sub 4}. • Study of catalytic activity of product. - Abstract: The cobalt carbonate cuboids are prepared by adopting a simple solvothermal approach by using diethylene glycol and water in specific ratio as solvent. The prepared cobalt carbonate is subjected to different instrumentation to investigate its morphology and other properties. It is clear from the scanning electron microscopy (SEM) and transmission electron microscopy (TEM) that the product is distinct cuboid in shape with a size of approximately 3 μm from each face of the cube. Each particle of cuboid cobalt carbonate seems to comprise of layer by layer assembly of unit cells that consequently leads to a cuboid geometry. The cuboid cobalt carbonate was calcined at 700 °C in a furnace under argon atmosphere that decompose cobalt carbonate into porous Co{sub 3}O{sub 4} with the loosely packed arrangement of nano architectures. The gas sensing properties and catalytic activity of porous cuboids Co{sub 3}O{sub 4} are also investigated.

  16. The synthesis of porous Co3O4 micro cuboid structures by solvothermal approach and investigation of its gas sensing properties and catalytic activity

    International Nuclear Information System (INIS)

    Jamil, Saba; Jing, Xiaoyan; Wang, Jun; Li, Songnan; Liu, Jingyuan; Zhang, Milin

    2013-01-01

    Graphical abstract: - Highlights: • Micro cuboid Co 3 O 4 particle prepared by solvothermal method. • Study of morphology of synthesized cuboids before and after calcinations. • Investigation of formation mechanism of porous Co 3 O 4 from cuboid CoCO 3 . • Investigation of gas sensing properties of porous Co 3 O 4 . • Study of catalytic activity of product. - Abstract: The cobalt carbonate cuboids are prepared by adopting a simple solvothermal approach by using diethylene glycol and water in specific ratio as solvent. The prepared cobalt carbonate is subjected to different instrumentation to investigate its morphology and other properties. It is clear from the scanning electron microscopy (SEM) and transmission electron microscopy (TEM) that the product is distinct cuboid in shape with a size of approximately 3 μm from each face of the cube. Each particle of cuboid cobalt carbonate seems to comprise of layer by layer assembly of unit cells that consequently leads to a cuboid geometry. The cuboid cobalt carbonate was calcined at 700 °C in a furnace under argon atmosphere that decompose cobalt carbonate into porous Co 3 O 4 with the loosely packed arrangement of nano architectures. The gas sensing properties and catalytic activity of porous cuboids Co 3 O 4 are also investigated

  17. [Corrosion resistant properties of different anodized microtopographies on titanium surfaces].

    Science.gov (United States)

    Fangjun, Huo; Li, Xie; Xingye, Tong; Yueting, Wang; Weihua, Guo; Weidong, Tian

    2015-12-01

    To investigate the corrosion resistant properties of titanium samples prepared by anodic oxidation with different surface morphologies. Pure titanium substrates were treated by anodic oxidation to obtain porous titanium films in micron, submicron, and micron-submicron scales. The surface morphologies, coating cross-sectional morphologies, crystalline structures, and surface roughness of these samples were characterized. Electrochemical technique was used to measure the corrosion potential (Ecorr), current density of corrosion (Icorr), and polarization resistance (Rp) of these samples in a simulated body fluid. Pure titanium could be modified to exhibit different surface morphologies by the anodic oxidation technique. The Tafel curve results showed that the technique can improve the corrosion resistance of pure titanium. Furthermore, the corrosion resistance varied with different surface morphologies. The submicron porous surface sample demonstrated the best corrosion resistance, with maximal Ecorr and Rp and minimal Icorr. Anodic oxidation technology can improve the corrosion resistance of pure titanium in a simulated body fluid. The submicron porous surface sample exhibited the best corrosion resistance because of its small surface area and thick barrier layer.

  18. Investigation of magnetorheological elastomer surface properties by atomic force microscopy

    International Nuclear Information System (INIS)

    Iacobescu, G.E.; Balasoiu, M.; Bica, I.

    2012-01-01

    Magnetorheological elastomers consist of a natural or synthetic rubber matrix interspersed with micron-sized ferromagnetic particles. The magnetoelastic properties of such a composite are not merely a sum of elasticity of the polymer and stiffness and magnetic properties of the filler, but also the result of a complex synergy of several effects, relevant at different length scales and detectable by different techniques. In the present work we investigate the microstructures, the surface magnetic properties and the elastic properties of new isotropic and anisotropic magnetorheological elastomer prepared using silicone rubber and soft magnetic carbonyl iron microspheres. The measurements were performed by atomic force microscopy in the following modes: standard imaging-non-contact atomic force microscopy, magnetic force microscopy and nanoindentation. A comparative study for the samples with different particle concentrations and strength of magnetic field applied during the polymerization process is developed

  19. Surface and mechanical properties of polypropylene/clay nanocomposite

    Directory of Open Access Journals (Sweden)

    Dibaei Asl Husein

    2013-01-01

    Full Text Available Huge consumption of polypropylene in the industries like automotive motivates academic and industrial R&Ds to find new and excellent approaches to improve the mechanical properties of this polymer, which has no degradation effect on other required performance properties like impact resistance, controlled crystallinity, toughness and shrinkage. Nowadays, nanoparticles play a key role in improving the mechanical and surface properties of polypropylene. In this study, three compositions of "Polypropylene/nanoclay", containing 0%, 2% and 5% of nanoclay were prepared in internal mixer. For characterizing the nanoclay dispersion in polymer bulk, TEM and XRD tests were used. For scratch resistance test, scratch lines were created on the load of 900 grain on sheets and SEM images were taken and compared with neat PP scratch image. Crystallinity and mechanical behavior were studied. The results showed that mechanical properties and scratch resistance of the composites have been improved.

  20. Novel Co(II) phthalocyanines of extended periphery and their water-soluble derivatives. Synthesis, spectral properties and catalytic activity

    Science.gov (United States)

    Filippova, Anna; Vashurin, Artur; Znoyko, Serafima; Kuzmin, Ilya; Razumov, Mikhail; Chernova, Alena; Shaposhnikov, Gennady; Koifman, Oscar

    2017-12-01

    Novel complexes of cobalt and copper with substituted phthalocyanines were synthesized and characterized. Their water-soluble derivatives were obtained by sulfonation under mild conditions and structurally proved. Aggregation equilibrium in water mediums was shown and influence of geometrical and electron parameters of macroheterocycle peripheral substituents on these processes was established. Catalytic activity upon liquid-phase oxidation of N,N-diethylcarbamodithiolate to thiuram E was studied. Kinetic parameters of substrate oxidation in presence of cobalt phthalocyanines were considered.

  1. Effect of additives to VPO system on its catalytic properties in oxidative dehydrogenation of propane and ethane

    International Nuclear Information System (INIS)

    Gasior, M.; Gressel, I.; Grzybowska, B.; Zazhigalov, V.A.

    2003-01-01

    Oxidative dehydrogenation (ODH) of propane and ethane has been studied on VPO catalysts with additives of Bi, La, Mo, and Zr. The catalysts show promising properties in the ethane ODH, with selectiveness of ethene of ∼ 85% at 10% conversion of ethane, but are poor in the propane ODH (maximal selectivities to propene of ∼40%). For both alkanes introduction of the additives leads to an increase in the overall rate of the reaction. The effect of the additives on the selectivity to olefins is complex and depends on the reaction temperature, the additive content and the type of alkane. The same additive has in several cases an inverse effect on the selectivity for the propane and ethane ODH. The Mo additive and higher amounts of the La additive increase the selectivity to propane, whereas they decrease the selectivity of ethane. Low content of La additive gives rise of the increase of selectivity to ethane and decrease in that to propane. The differences between the selectivities to olefins in ODH of propane and ethane are discussed as being due to different acidic-basic properties of the propene and ethene and their different strength of bonding to the catalyst surface. (author)

  2. Magneto-optical and catalytic properties of Fe{sub 3}O{sub 4}@HA@Ag magnetic nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Amir, Md., E-mail: mdamir01031001@gmail.com [Department of Chemistry, Fatih University, 34500 B.Çekmece-İstanbul, Turkey (Turkey); Bio & Nanotechnology Engineering, Faculty of Engineering, Istanbul University, 34452 Beyazıt/Fatih-İstanbul (Turkey); Güner, S. [Department of Physics, Fatih University, 34500 B.Çekmece-İstanbul, Turkey (Turkey); Yıldız, A. [Department of Textile Engineering, Namık Kemal University, 59860 Çorlu-Tekirdağ, Turkey (Turkey); Baykal, A. [Department of Chemistry, Fatih University, 34500 B.Çekmece-İstanbul, Turkey (Turkey)

    2017-01-01

    Fe{sub 3}O{sub 4}@HA@Ag magnetic nanocomposites (MNCs) were successfully synthesized by the simple reflux method for the removal of azo dyes from the industrial aqueous media. Fe{sub 3}O{sub 4}@HA@AgMNCs exhibited high catalytic activity to reduce MB within 20 min from the waste water. The obtained materials were characterized by the means of different techniques. Powder X-ray diffraction (XRD) analysis confirmed the single-phase of Fe{sub 3}O{sub 4} spinel structure. SEM and TEM analysis indicated that Fe{sub 3}O{sub 4}@HA@AgMNCs were nanoparticles like structure with small agglomeration. TG result showed that the products contained 9% of HA. The characteristic peaks of HA at 1601 cm{sup −1} and 1703 cm{sup −1} was observed by the means of FT-IR spectra of Fe{sub 3}O{sub 4}@HA@AgMNCs. The hysteresis (σ–H) curves revealed Fe{sub 3}O{sub 4}@HA@Ag MNCs exhibit a typical superparamagnetic characteristic with a saturation magnetization of 59.11 emu/g and measured magnetic moment is 2.45 µ{sub B}. The average magnetic particle dimension (D{sub mag}) is 13.25 nm. In accordance, the average crystallite and particle dimensions were obtained as 11.50 nm and 13.10 nm from XRD and TEM measurements, respectively. Magnetocrystalline anisotropy was offered as uniaxial and calculated effective anisotropy constant (K{sub eff}) is 2.96×10{sup 5} Erg/g. The blocking temperature was estimated as 522 K. The size-dependent saturation magnetization suggests the existence of a magnetically dead layer as 0.793 nm for Fe{sub 3}O{sub 4}@HA@Ag MNCs. The UV–vis diffuse reflectance spectroscopy (DRS) and Kubelka–Munk theory were applied to determine the optical properties of powder samples. The direct optical energy band gap (E{sub g}) values were estimated from Tauc plots between 1.62 eV and 2.12 eV. - Graphical abstract: An illustration for the fabrication of Fe{sub 3}O{sub 4}@HA@Ag MNCs. - Highlights: • The reduction of azo dye such Methylene Blue was instantly completed with

  3. Surface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys.

    Science.gov (United States)

    Greeley, Jeff; Mavrikakis, Manos

    2005-03-03

    Periodic, self-consistent DFT-GGA calculations are used to study the thermochemical properties of both surface and subsurface atomic hydrogen on a variety of pure metals and near-surface alloys (NSAs). For surface hydrogen on pure metals, calculated site preferences, adsorption geometries, vibrational frequencies, and binding energies are reported and are found to be in good agreement with available experimental data. On NSAs, defined as alloys wherein a solute is present near the surface of a host metal in a composition different from the bulk composition, surface hydrogen generally binds more weakly than it binds to the pure-metal components composing the alloys. Some of the NSAs even possess the unusual property of binding hydrogen as weakly as the noble metals while, at the same time, dissociating H(2) much more easily. On both NSAs and pure metals, formation of surface hydrogen is generally exothermic with respect to H(2)(g). In contrast, formation of subsurface hydrogen is typically endothermic with respect to gas-phase H(2) (the only exception to this general statement is found for pure Pd). As with surface H, subsurface H typically binds more weakly to NSAs than to the corresponding pure-metal components of the alloys. The diffusion barrier for hydrogen from surface to subsurface sites, however, is usually lower on NSAs compared to the pure-metal components, suggesting that population of subsurface sites may occur more rapidly on NSAs.

  4. Fabrication and Surface Properties of Composite Films of SAM/Pt/ZnO/SiO 2

    KAUST Repository

    Yao, Ke Xin

    2008-12-16

    Through synthetic architecture and functionalization with self-assembled monolayers (SAMs), complex nanocomposite films of SAM/Pt/ZnO/SiO2 have been facilely prepared in this work. The nanostructured films are highly uniform and porous, showing a wide range of tunable wettabilities from superhydrophilicity to superhydrophobicity (water contact angles: 0° to 170°). Our approach offers synthetic flexibility in controlling film architecture, surface topography, coating texture, crystallite size, and chemical composition of modifiers (e.g., SAMs derived from alkanethiols). For example, wettability properties of the nanocomposite films can be finely tuned with both inorganic phase (i.e., ZnO/SiO2 and Pt/ZnO/SiO2) and organic phase (i.e., SAMs on Pt/ZnO/SiO2). Due to the presence of catalytic components Pt/ZnO within the nanocomposites, surface reactions of the organic modifiers can further take place at room temperature and elevated temperatures, which provides a means for SAM formation and elimination. Because the Pt/ZnO forms an excellent pair of metal-semiconductors for photocatalysis, the anchored SAMs can also be modified or depleted by UV irradiation (i.e., the films possess self-cleaning ability). Potential applications of these nanocomposite films have been addressed. Our durability tests also confirm that the films are thermally stable and structurally robust in modification- regeneration cycles. © 2008 American Chemical Society.

  5. Oxidative nanopatterning of titanium generates mesoporous surfaces with antimicrobial properties

    Directory of Open Access Journals (Sweden)

    Variola F

    2014-05-01

    Full Text Available Fabio Variola,1,2 Sylvia Francis Zalzal,3 Annie Leduc,3 Jean Barbeau,3 Antonio Nanci31Faculty of Engineering, Department of Mechanical Engineering, 2Faculty of Science, Department of Physics, University of Ottawa, Ottawa, ON, 3Faculty of Dental Medicine, Université de Montréal, Montreal, QC, CanadaAbstract: Mesoporous surfaces generated by oxidative nanopatterning have the capacity to selectively regulate cell behavior, but their impact on microorganisms has not yet been explored. The main objective of this study was to test the effects of such surfaces on the adherence of two common bacteria and one yeast strain that are responsible for nosocomial infections in clinical settings and biomedical applications. In addition, because surface characteristics are known to affect bacterial adhesion, we further characterized the physicochemical properties of the mesoporous surfaces. Focused ion beam (FIB was used to generate ultrathin sections for elemental analysis by energy-dispersive X-ray spectroscopy (EDS, nanobeam electron diffraction (NBED, and high-angle annular dark field (HAADF scanning transmission electron microscopy (STEM imaging. The adherence of Staphylococcus aureus, Escherichia coli and Candida albicans onto titanium disks with mesoporous and polished surfaces was compared. Disks with the two surfaces side-by-side were also used for direct visual comparison. Qualitative and quantitative results from this study indicate that bacterial adhesion is significantly hindered by the mesoporous surface. In addition, we provide evidence that it alters structural parameters of C. albicans that determine its invasiveness potential, suggesting that microorganisms can sense and respond to the mesoporous surface. Our findings demonstrate the efficiency of a simple chemical oxidative treatment in generating nanotextured surfaces with antimicrobial capacity with potential applications in the implant manufacturing industry and hospital setting

  6. Microstructure and properties of cast iron after laser surface hardening

    Directory of Open Access Journals (Sweden)

    Stanislav

    2013-12-01

    Full Text Available Laser surface hardening of cast iron is not trivial due to the material’s heterogeneity and coarse-grained microstructure, particularly in massive castings. Despite that, hardening of heavy moulds for automotive industry is in high demand. The present paper summarises the findings collected over several years of study of materials structure and surface properties. Phase transformations in the vicinity of graphite are described using examples from production of body parts in automotive industry. The description relates to formation of martensite and carbide-based phases, which leads to hardness values above 65 HRC and to excellent abrasion resistance.

  7. Bifunctional Ag@Pd-Ag Nanocubes for Highly Sensitive Monitoring of Catalytic Reactions by Surface-Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Li, Jumei; Liu, Jingyue; Yang, Yin; Qin, Dong

    2015-06-10

    We report a route to the facile synthesis of Ag@Pd-Ag nanocubes by cotitrating Na2PdCl4 and AgNO3 into an aqueous suspension of Ag nanocubes at room temperature in the presence of ascorbic acid and poly(vinylpyrrolidone). With an increase in the total titration volume, we observed the codeposition of Pd and Ag atoms onto the edges, corners, and side faces of the Ag nanocubes in a site-by-site fashion. By maneuvering the Pd/Ag ratio, we could optimize the SERS and catalytic activities of the Ag@Pd-Ag nanocubes for in situ SERS monitoring of the Pd-catalyzed reduction of 4-nitrothiophenol by NaBH4.

  8. Directly observing catalytic intermediates of methane dry reforming (MDR) on model Ni(111) catalyst via in operando surface techniques

    Science.gov (United States)

    Yuan, Kaidi

    In this work, near ambient pressure x-ray photoelectron spectroscopy was used to trace the in operando catalytic intermediates of methane dry reforming on model Ni(111) catalyst. The following reactive carbon intermediates have been characterized from dissociation of CH4: *CH, *C1 (Ni3C), *Cn (n≥2) and clock-reconstructed Ni2C. They can develop into inert graphene, and the conditions for this transition have been explored. One the other hand, the oxygen intermediates from CO2 dissociation were also studied, which play an important role on restraining graphene growth. Their dynamic coverage decreases with increasing temperature, which is suggested the fundamental mechanism of regional carbon overspill and causes irreversible graphene formation. Therefore, solutions based on Ni-O stabilization were proposed in developing coking resisting catalysts.

  9. Correlation between surface microstructure and optical properties of porous silicon

    Directory of Open Access Journals (Sweden)

    Saeideh Rhramezani Sani

    2007-12-01

    Full Text Available   We have studied the effect of increasing porosity and its microstructure surface variation on the optical and dielectric properties of porous silicon. It seems that porosity, as the surface roughness within the range of a few microns, shows quantum effect in the absorption and reflection process of porous silicon. Optical constants of porous silicon at normal incidence of light with wavelength in the range of 250-3000 nm have been calculated by Kramers-Kroning method. Our experimental analysis shows that electronic structure and dielectric properties of porous silicon are totally different from silicon. Also, it shows that porous silicon has optical response in the visible region. This difference was also verified by effective media approximation (EMA.

  10. Friction Properties of Surface-Fluorinated Carbon Nanotubes

    Science.gov (United States)

    Wal, R. L. Vander; Miyoshi, K.; Street, K. W.; Tomasek, A. J.; Peng, H.; Liu, Y.; Margrave, J. L.; Khabashesku, V. N.

    2005-01-01

    Surface modification of the tubular or sphere-shaped carbon nanoparticles through chemical treatment, e.g., fluorination, is expected to significantly affect their friction properties. In this study, a direct fluorination of the graphene-built tubular (single-walled carbon nanotubes) structures has been carried out to obtain a series of fluorinated nanotubes (fluoronanotubes) with variable C(n)F (n =2-20) stoichiometries. The friction coefficients for fluoronanotubes, as well as pristine and chemically cut nanotubes, were found to reach values as low as 0.002-0.07, according to evaluation tests run in contact with sapphire in air of about 40% relative humidity on a ball-on-disk tribometer which provided an unidirectional sliding friction motion. These preliminary results demonstrate ultra-low friction properties and show a promise in applications of surface modified nanocarbons as a solid lubricant.

  11. Surface properties of Ti-6Al-4V alloy part I: Surface roughness and apparent surface free energy.

    Science.gov (United States)

    Yan, Yingdi; Chibowski, Emil; Szcześ, Aleksandra

    2017-01-01

    Titanium (Ti) and its alloys are the most often used implants material in dental treatment and orthopedics. Topography and wettability of its surface play important role in film formation, protein adhesion, following osseointegration and even duration of inserted implant. In this paper, we prepared Ti-6Al-4V alloy samples using different smoothing and polishing materials as well the air plasma treatment, on which contact angles of water, formamide and diiodomethane were measured. Then the apparent surface free energy was calculated using four different approaches (CAH, LWAB, O-W and Neumann's Equation of State). From LWAB approach the components of surface free energy were obtained, which shed more light on the wetting properties of samples surface. The surface roughness of the prepared samples was investigated with the help of optical profilometer and AFM. It was interesting whether the surface roughness affects the apparent surface free energy. It was found that both polar interactions the electron donor parameter of the energy and the work of water adhesion increased with decreasing roughness of the surfaces. Moreover, short time plasma treatment (1min) caused decrease in the surface hydrophilic character, while longer time (10min) treatment caused significant increase in the polar interactions and the work of water adhesion. Although Ti-6Al-4V alloy has been investigated many times, to our knowledge, so far no paper has been published in which surface roughness and changes in the surface free energy of the alloy were compared in the quantitative way in such large extent. This novel approach deliver better knowledge about the surface properties of differently smoothed and polished samples which may be helpful to facilitate cell adhesion, proliferation and mineralization. Therefore the results obtained present also potentially practical meaning. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Optimization of Catalytic Ozonation Process for Formaldehyde Mineralization from Synthetic Wastewater by Fe/MgO Nanoparticles Synthesis by Sol-Gel Method by Response Surface Model

    Directory of Open Access Journals (Sweden)

    Ghorban Asgari

    2014-09-01

    Full Text Available Background: Design experiment stages of formalin mineralization process by center composition design (CCD cause ease of work, reducing the number of samples, increasing the accuracy of optimized conditions and the interaction parameters determined during the process. The aim of this study was optimization of catalytic ozonation process for formaldehyde mineralization from synthetic wastewater by Fe/MgO nanoparticles synthesis by sol-gel method by response surface model. Methods: This experimental study was conducted in a semi-batch reactor, using a RSM by taking 3 factors in the final stage of pH (7-9, reaction time (10-20 min and catalyst dose (1.1-1.3 g/L was investigated. Synthesis of nanoparticles was done by sol-gel method. The results were analyzed by Design Expert 7.0.1 software. Results: The results showed that the process was dependent on the parameters studied and changing each parameter, affected the process efficiency and other parameters. The optimum conditions predicted for the process was 86.51% of mineralization efficiency. Optimum condition included pH=8.82, reaction time of 20 minute and catalyst dose of 1.3 g/L. The correlation coefficient for the process was determined 0.91. Conclusion: Using a statistical model could reduce the number of experiments, the accuracy and the prediction process. The catalytic ozonation process has the ability to remove formaldehyde with high efficiency and the process was environmental friendly.

  13. Catalytic effect of Al and AlN interlayer on the growth and properties of containing carbon films

    International Nuclear Information System (INIS)

    Zhou, Bing; Liu, Zhubo; Tang, Bin; Rogachev, A.V.

    2015-01-01

    Highlights: • DLC and CN x bilayers with Al (AlN) interlayer were fabricated by cathode arc technique. • Complete diffusion of Al and C atoms occurs at the interface of Al/DLC (CN x ) bilayer. • Al/CN x bilayer presents a higher content of Csp 3 /Csp 2 bonds. • The hardness of Al/DLC bilayer decreases but increases for the other bilayers. • Morphology of the bilayers was explained by growth mechanism of DLC and surface state of substrate. - Abstract: Diamond-like carbon (DLC) and carbon nitride (CN x ) bilayer films with Al and AlN interlayer were fabricated by pulse cathode arc technique. The structure, composition, morphology and mechanical properties of the films were investigated by Raman, Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), Knoop sclerometer and surface profilometer. The results indicated that the complete diffusion between C and Al atoms occurs in the Al/DLC and Al/CN x bilayer. Al interlayer induces the increase of the size and ordering of Csp 2 clusters in the films but AlN interlayer increases the disordering degree of Csp 2 clusters. XPS results showed that a higher content of Csp 3 /Csp 2 bonds presents in the Al/CN x bilayer, and Al and AlN interlayer decreases the atomic ratio of N/C. AFM with phase contrast mode illustrated the morphologic characteristics of the bilayer films. All the bilayers show a nano-structural surface. The morphology changes of the bilayer were well explained by the surface state of the substrate and the growth mechanism of DLC films. The hardness of Al/DLC bilayer decreases but it increases for the other bilayers compared to the corresponding DLC (CN x ) monolayer. The internal stress of the bilayer is significantly lower than that of the monolayer except for the AlN/CN x bilayer. These studies could make the difference at the time of choosing a suitable functional film for certain application

  14. Magnetic Nanoparticles: Surface Effects and Properties Related to Biomedicine Applications

    OpenAIRE

    Issa, Bashar; Obaidat, Ihab M.; Albiss, Borhan A.; Haik, Yousef

    2013-01-01

    Due to finite size effects, such as the high surface-to-volume ratio and different crystal structures, magnetic nanoparticles are found to exhibit interesting and considerably different magnetic properties than those found in their corresponding bulk materials. These nanoparticles can be synthesized in several ways (e.g., chemical and physical) with controllable sizes enabling their comparison to biological organisms from cells (10–100 μm), viruses, genes, down to proteins (3–50 nm). The opti...

  15. Enzymes immobilized in Langmuir-Blodgett films: Why determining the surface properties in Langmuir monolayer is important?

    Directory of Open Access Journals (Sweden)

    LUCIANO CASELI

    2018-01-01

    Full Text Available ABSTRACT In this review we discuss about the immobilization of enzymes in Langmuir-Blodgett films in order to determine the catalytic properties of these biomacromolecules when adsorbed on solid supports. Usually, the conformation of enzymes depends on the environmental conditions imposed to them, including the chemical composition of the matrix, and the morphology and thickness of the film. In this review, we show an outline of manuscripts that report the immobilization of enzymes as LB films since the 1980’s, and also some examples of how the surface properties of the floating monolayer prepared previously to the transfer to the solid support are important to determine the efficiency of the resulting device.

  16. Nanoscale Cobalt-Manganese Oxide Catalyst Supported on Shape-Controlled Cerium Oxide: Effect of Nanointerface Configuration on Structural, Redox, and Catalytic Properties.

    Science.gov (United States)

    Hillary, Brendan; Sudarsanam, Putla; Amin, Mohamad Hassan; Bhargava, Suresh K

    2017-02-28

    Understanding the role of nanointerface structures in supported bimetallic nanoparticles is vital for the rational design of novel high-performance catalysts. This study reports the synthesis, characterization, and the catalytic application of Co-Mn oxide nanoparticles supported on CeO 2 nanocubes with the specific aim of investigating the effect of nanointerfaces in tuning structure-activity properties. High-resolution transmission electron microscopy analysis reveals the formation of different types of Co-Mn nanoalloys with a range of 6 ± 0.5 to 14 ± 0.5 nm on the surface of CeO 2 nanocubes, which are in the range of 15 ± 1.5 to 25 ± 1.5 nm. High concentration of Ce 3+ species are found in Co-Mn/CeO 2 (23.34%) compared with that in Mn/CeO 2 (21.41%), Co/CeO 2 (15.63%), and CeO 2 (11.06%), as evidenced by X-ray photoelectron spectroscopy (XPS) analysis. Nanoscale electron energy loss spectroscopy analysis in combination with XPS studies shows the transformation of Co 2+ to Co 3+ and simultaneously Mn 4+/3+ to Mn 2+ . The Co-Mn/CeO 2 catalyst exhibits the best performance in solvent-free oxidation of benzylamine (89.7% benzylamine conversion) compared with the Co/CeO 2 (29.2% benzylamine conversion) and Mn/CeO 2 (82.6% benzylamine conversion) catalysts for 3 h at 120 °C using air as the oxidant. Irrespective of the catalysts employed, a high selectivity toward the dibenzylimine product (97-98%) was found compared with the benzonitrile product (2-3%). The interplay of redox chemistry of Mn and Co at the nanointerface sites between Co-Mn nanoparticles and CeO 2 nanocubes as well as the abundant structural defects in cerium oxide plays a key role in the efficiency of the Co-Mn/CeO 2 catalyst for the aerobic oxidation of benzylamine.

  17. Unique catalytic properties of a butoxy chain-containing ruthenated porphyrin towards oxidation of uric acid and reduction of dioxygen for visible light-enhanced fuel cells

    International Nuclear Information System (INIS)

    Liu, Junchen; Wang, Yi; Deng, Qiang; Zhu, Licai; Chao, Hui; Li, Hong

    2016-01-01

    Highlights: • Ru(II)PTPP/CdS shows two Ru(II)-based oxidation peaks at 0.296 V and 0.830 V. • Photoelectrocatalytic oxidation of UA exhibits good linear responses. • The butoxy chain endows Ru(II)PTPP with multifunctional catalytic properties. • Ru(II)PTPP on CF electrode can remarkably promote the reduction of oxygen. • The assembled cell has I SC of 0.136 mA cm −2 and P max of 31.50 μW cm −2 . - Abstract: This paper reports the photoelectrocatalytic activities of a ruthenated porphyrin [Ru(phen) 2 (IP-C 4 O-TPP)] 2+ (denoted as Ru(II)PTPP, phen = 1,10-phenanthroline, IP = imidazo[4,5-f][1,10]phenanthroline and TPP = 5,10,15,20-tetraphenylporphyrin) containing a covalently-linked butoxy chain (-C 4 O-) between IP and TPP moieties by means of various electrochemical techniques in combination with absorption spectroscopy and scanning electronic microscopy. Ru(II)PTPP is assembled on the surface of CdS nanoparticles, showing two Ru(II)-based peaks at 0.296 V and 0.830 V, where uric acid (UA) can be photoelectrocatalytically oxidized in a linear range of 0.01-10.0 mmol L −1 . The −C 4 O- chain endows the Ru(II)PTPP/carbon felt (CF) electrode with favorable dioxygen (O 2 ) binding sites to achieve a couple of new redox peaks at −0.213 V, where O 2 involves electrocatalytic reduction reactions. While employing 5.0 mmol L −1 UA as fuel, and 60 mL min −1 O 2 as oxidant, the proposed photoelectrochemical fuel cell shows open-circuit photovoltage of 0.656 V, short-circuit photocurrent density of 0.136 mA cm −2 , and maximum power density of 31.50 μW cm −2 at 0.497 V under visible-light illumination of 0.18 mW cm −2 . The present study provides an interesting platform for the utilization of renewable energy sources.

  18. Enhanced magneto-optical and photo-catalytic properties of transition metal cobalt (Co2+ ions) doped spinel MgFe2O4 ferrite nanocomposites

    Science.gov (United States)

    Abraham, A. Godlyn; Manikandan, A.; Manikandan, E.; Vadivel, S.; Jaganathan, S. K.; Baykal, A.; Renganathan, P. Sri

    2018-04-01

    In this study, spinel magnesium cobalt ferrite (CoxMg1-xFe2O4: x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) nanocomposites were synthesized successfully by modified sol-gel combustion method. Magnesium nitrate, cobalt nitrate and iron nitrate were used as the source of divalent (Mg2+ and Co2+) and trivalent (Fe3+) cations, respectively and urea were used as the reducing (fuel) agent. The effects of cobalt ions on morphology, structural, optical, magnetic and photo-catalytic properties of spinel CoxMg1-xFe2O4 nanocomposites were investigated. Various characterization methods, including X-ray powder diffraction (XRD), high resolution scanning electron microscope (HR-SEM), transmission electron microscopy (HR-TEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transforms infrared (FT-IR) spectroscopy, vibrating sample magnetometer (VSM) and photo-catalytic degradation (PCD) activity were used to study the phase purity, microstructure, particle size, elemental composition, functional group determination, band gap calculation, magnetic properties and degradation efficiency of nanoparticles, respectively. The observed results showed that the final products consists cubic spinel phase with sphere-like nanoparticles morphologies. Furthermore, spinel Co0.6Mg0.4Fe2O4 nanocomposite showed highest PCD efficiency (98.55%) than other composition of ferrite nanoparticles.

  19. Electrokinetic Properties of TiO2 Nanotubular Surfaces

    Science.gov (United States)

    Lorenzetti, Martina; Gongadze, Ekaterina; Kulkarni, Mukta; Junkar, Ita; Iglič, Aleš

    2016-08-01

    Surface charge is one of the most significant properties for the characterisation of a biomaterial, being a key parameter in the interaction of the body implant with the surrounding living tissues. The present study concerns the systematic assessment of the surface charge of electrochemically anodized TiO2 nanotubular surfaces, proposed as coating material for Ti body implants. Biologically relevant electrolytes (NaCl, PBS, cell medium) were chosen to simulate the physiological conditions. The measurements were accomplished as titration curves at low electrolytic concentration (10-3 M) and as single points at fixed pH but at various electrolytic concentrations (up to 0.1 M). The results showed that all the surfaces were negatively charged at physiological pH. However, the zeta potential values were dependent on the electrolytic conditions (electrolyte ion concentration, multivalence of the electrolyte ions, etc.) and on the surface characteristics (nanotubes top diameter, average porosity, exposed surface area, wettability, affinity to specific ions, etc.). Accordingly, various explanations were proposed to support the different experimental data among the surfaces. Theoretical model of electric double layer which takes into account the asymmetric finite size of ions in electrolyte and orientational ordering of water dipoles was modified according to our specific system in order to interpret the experimental data. Experimental results were in agreement with the theoretical predictions. Overall, our results contribute to enrich the state-of-art on the characterisation of nanostructured implant surfaces at the bio-interface, especially in case of topographically porous and rough surfaces.

  20. Surface, structural and tensile properties of proton beam irradiated zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo, E-mail: yongskim@hanyang.ac.kr

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 10{sup 13} to 1 × 10{sup 16} protons/cm{sup 2}. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples’ surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson–Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  1. Surface, structural and tensile properties of proton beam irradiated zirconium

    Science.gov (United States)

    Rafique, Mohsin; Chae, San; Kim, Yong-Soo

    2016-02-01

    This paper reports the surface, structural and tensile properties of proton beam irradiated pure zirconium (99.8%). The Zr samples were irradiated by 3.5 MeV protons using MC-50 cyclotron accelerator at different doses ranging from 1 × 1013 to 1 × 1016 protons/cm2. Both un-irradiated and irradiated samples were characterized using Field Emission Scanning Electron Microscope (FESEM), X-ray Diffraction (XRD) and Universal Testing Machine (UTM). The average surface roughness of the specimens was determined by using Nanotech WSxM 5.0 develop 7.0 software. The FESEM results revealed the formation of bubbles, cracks and black spots on the samples' surface at different doses whereas the XRD results indicated the presence of residual stresses in the irradiated specimens. Williamson-Hall analysis of the diffraction peaks was carried out to investigate changes in crystallite size and lattice strain in the irradiated specimens. The tensile properties such as the yield stress, ultimate tensile stress and percentage elongation exhibited a decreasing trend after irradiation in general, however, an inconsistent behavior was observed in their dependence on proton dose. The changes in tensile properties of Zr were associated with the production of radiation-induced defects including bubbles, cracks, precipitates and simultaneous recovery by the thermal energy generated with the increase of irradiation dose.

  2. Microstructure and surface properties of fibrous and ground cellulosic substrates.

    Science.gov (United States)

    Csiszár, Emília; Fekete, Erika

    2011-07-05

    Cotton and linen fibers were ground in a ball-mill, and the effect of grinding on the microstructure and surface properties of the fibers was determined by combining a couple of simple tests with powerful techniques of surface and structure analysis. Results clearly proved that the effect of grinding on cotton fiber was much less severe than on linen. For both fibers, the degree of polymerization reduced (by 14.5% and 30.5% for cotton and linen, respectively) with a simultaneous increase in copper number. The increased water sorption capacity of the ground substrates was in good agreement with the X-ray results, which proved a less perfect crystalline structure in the ground samples. Data from XPS and SEM-EDS methods revealed that the concentration of oxygen atoms (bonded especially in acetal and/or carbonyl groups) on the ground surfaces increased significantly, resulting in an increase in oxygen/carbon atomic ratio (XPS data: from 0.11 to 0.14 and from 0.16 to 0.29 for cotton and linen, respectively). Although grinding created new surfaces rich in O atoms, the probable higher energy of the surface could not be measured by IGC, most likely due to the limited adsorption of the n-alkane probes on the less perfect crystalline surfaces. © 2011 American Chemical Society

  3. Effect of Surface Treatment on the Properties of Wool Fabric

    Science.gov (United States)

    Kan, C. W.; Yuen, C. W. M.; Chan, C. K.; Lau, M. P.

    Wool fiber is commonly used in textile industry, however, it has some technical problems which affect the quality and performance of the finished products such as felting shrinkage, handle, lustre, pilling, and dyeability. These problems may be attributed mainly in the presence of wool scales on the fiber surface. Recently, chemical treatments such as oxidation and reduction are the commonly used descaling methods in the industry. However, as a result of the pollution caused by various chemical treatments, physical treatment such as low temperature plasma (LTP) treatment has been introduced recently because it is similarly capable of achieving a comparable descaling effect. Most of the discussions on the applications of LTP treatment on wool fiber were focused on applying this technique for improving the surface wettability and shrink resistance. Meanwhile, little discussion has been made on the mechanical properties, thermal properties, and the air permeability. In this paper, wool fabric was treated with LTP treatment with the use of a non-polymerizing gas, namely oxygen. After the LTP treatment, the fabrics low-stress mechanical properties, air permeability, and thermal properties were evaluated and discussed.

  4. Radiative Properties of Smoke and Aerosol Over Land Surfaces

    Science.gov (United States)

    King, Michael D.

    2000-01-01

    This talk discusses smoke and aerosol's radiative properties with particular attention to distinguishing the measurement over clear sky from clouds over land, sea, snow, etc. surfaces, using MODIS Airborne Simulator data from (Brazil, arctic sea ice and tundra and southern Africa, west Africa, and other ecosystems. This talk also discusses the surface bidirectional reflectance using Cloud Absorption Radiometer, BRDF measurements of Saudi Arabian desert, Persian Gulf, cerrado and rain forests in Brazil, sea ice, tundra, Atlantic Ocean, Great Dismal Swamp, Kuwait oil fire smoke. Recent upgrades to instrument (new TOMS UVA channels at 340 and 380 planned use in Africa (SAFARI 2000) and possibly for MEIDEX will also be discussed. This talk also plans to discuss the spectral variation of surface reflectance over land and the sensitivity of off-nadir view angles to correlation between visible near-infrared reflectance for use in remote sensing of aerosol over land.

  5. Ice sintering timescales at the surface of Europa and implications for surface properties

    Science.gov (United States)

    Phillips, C. B.; Molaro, J.; Meirion-Griffith, G.

    2017-12-01

    The planned exploration of Europa by NASA's Europa Clipper Mission and the possibility of a future Europa lander have driven the need to characterize its surface strength, roughness, porosity, thermal conductivity, and regolith depth in order to accurately interpret remote sensing data and develop appropriate spacecraft landing systems. Many processes contribute to Europa's landscape evolution, such as sputtering, mass wasting, thermal segregation, and impact gardening, driving the creation and distribution of icy regolith across the surface. While the efficacy of these processes are not well constrained, any amount of regolith emplaced at the surface will undergo subsequent processing due to sintering. Ice sintering is a form of frost metamorphism whereby contacting ice grains experience the diffusion of material into their contact region, forming a "neck" between them and densifying over time. Over long enough timescales, ice aggregates will sinter into solid material, which may contribute to the incorporation of non-ice material into Europa's subsurface and help to drive subsurface chemistry. Sintering also interacts with other processes, adding to the complexity of icy surface evolution. For example, sputtering preferentially removes larger grains and may enhance sintering rates, and changes in ice porosity may affect the response of the surface to micrometeorite impacts. Quantifying the effects of ice sintering will allow us to predict the microstructural properties of Europa's surface at spacecraft scales. To this end, we have modeled pressure-less (no overburden) sintering of spherical water-ice grains and validated the results with a laboratory experiment. We also modeled ice at the surface of Europa to obtain a first-order approximation of the sintering timescale and surface properties. Preliminary results indicate that ice grains will experience neck growth but not significant densification over Europa's surface age, suggesting that loose surface ice

  6. Surface Properties of Photo-Oxidized Bituminous Coals: Final report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-09-01

    Natural weathering has a detrimental effect on the hydrophobic nature of coal, which in turn can influence clean-coal recovery during flotation. Few techniques are available that can establish the quality of coal surfaces and that have a short analysis time to provide input for process control. Luminescence emissions which can be quantified with an optical microscope and photometer system, are measurably influenced by degree of weathering as well as by mild storage deterioration. In addition, it has been shown that when vitrinite is irradiated with a relatively high intensity flux of violet- or ultraviolet- light in the presence of air, photo-oxidation of the surface occurs. The combination of measuring the change in luminescence emission intensity with degree of surface oxidation provided the impetus for the current investigation. The principal aim of this research was to determine whether clear correlations could be established among surface oxygen functionality, hydrophobicity induced by photo-oxidation, and measurements of luminescence intensity and alteration. If successful, the project would result in quantitative luminescence techniques based on optical microscopy that would provide a measure of the changes in surface properties as a function of oxidation and relate them to coal cleanability. Two analytical techniques were designed to achieve these goals. Polished surfaces of vitrain bands or a narrow size fraction of powdered vitrain concentrates were photo-oxidized using violet or ultraviolet light fluxes and then changes in surface properties and chemistry were measured using a variety of near-surface analytical techniques. Results from this investigation demonstrate that quantitative luminescence intensity measurements can be performed on fracture surfaces of bituminous rank coals (vitrains) and that the data obtained do reveal significant variations depending upon the level of surface oxidation. Photo-oxidation induced by violet or ultraviolet light

  7. Surface Immobilization of pH-Responsive Polymer Brushes on Mesoporous Silica Nanoparticles by Enzyme Mimetic Catalytic ATRP for Controlled Cargo Release

    Directory of Open Access Journals (Sweden)

    Hang Zhou

    2016-08-01

    Full Text Available Peroxidase mimetic catalytic atom transfer radical polymerization (ATRP was first used to install tertiary amine-functionalized polymer brushes on the surface of mesoporous silica nanoparticles (MSNs in a facile and highly efficient manner. Poly(N,N-dimethylaminoethyl methacrylate (PDMAEMA brushes-grafted MSNs were fabricated by biocompatible deuterohemin-β-Ala-His-Thr-Val-Glu-Lys (DhHP-6-catalyzed surface-initiated ATRP (SI-ATRP. The resulting organic–inorganic hybrid nanocarriers were fully characterized by Fourier transform-infrared spectroscopy (FT-IR, thermogravimetric analysis (TGA, X-ray photoelectron spectroscopy (XPS, powder X-ray diffraction (XRD, SEM, TEM, Elemental analysis, Zeta-potential, and N2 adsorption–desorption isotherms, which demonstrated the successful coating of pH-responsive polymers on the MSN surface. Rhodamine 6G (Rh6G dyes were further loaded within the mesopores of this nanocarrier, and the release of Rh6G out of MSNs in a controlled fashion was achieved upon lowing the solution pH. The electrostatic repulsion of positively-charged tertiary ammonium of PDMAEMAs in acidic environments induced the stretching out of polymer brushes on MSN surfaces, thus opening the gates to allow cargo diffusion out of the mesopores of MSNs.

  8. Constraining the surface properties of effective Skyrme interactions

    Science.gov (United States)

    Jodon, R.; Bender, M.; Bennaceur, K.; Meyer, J.

    2016-08-01

    Background: Deformation energy surfaces map how the total binding energy of a nuclear system depends on the geometrical properties of intrinsic configurations, thereby providing a powerful tool to interpret nuclear spectroscopy and large-amplitude collective-motion phenomena such as fission. The global behavior of the deformation energy is known to be directly connected to the surface properties of the effective interaction used for its calculation. Purpose: The precise control of surface properties during the parameter adjustment of an effective interaction is key to obtain a reliable and predictive description of nuclear properties. The most relevant indicator is the surface-energy coefficient asurf. There are several possibilities for its definition and estimation, which are not fully equivalent and require a computational effort that can differ by orders of magnitude. The purpose of this study is threefold: first, to identify a scheme for the determination of asurf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze the correlation between values for asurf and the characteristic energies of the fission barrier of 240Pu; and third, to lay out an efficient and robust procedure for how the deformation properties of the Skyrme energy density functional (EDF) can be constrained during the parameter fit. Methods: There are several frequently used possibilities to define and calculate the surface energy coefficient asurf of effective interactions built for the purpose of self-consistent mean-field calculations. The most direct access is provided by the model system of semi-infinite nuclear matter, but asurf can also be extracted from the systematics of binding energies of finite nuclei. Calculations can be carried out either self-consistently [Hartree-Fock (HF)], which incorporates quantal shell effects, or in one of the semiclassical extended Thomas-Fermi (ETF) or modified Thomas-Fermi (MTF) approximations. The

  9. Surface Charge and Ion Sorption Properties of Titanium Dioxide

    Science.gov (United States)

    Ridley, M. K.; Machesky, M. L.; Wesolowski, D. J.; Finnegan, M. P.; Palmer, D. A.

    2001-12-01

    The interaction of submicron metal oxide particles with natural aqueous solutions results in the hydroxylation of surface sites, which impart a pH-dependent surface charge. The charged submicron particles influence processes such as nanoparticle assembly and alteration, crystal growth rates and morphologies, colloid flocculation, and contaminant transport. The surface charge and ion sorption properties of metal-oxide particles may be studied by potentiometric titrations, using hydrogen-electrode concentration-cells or traditional glass electrodes and an autotitrator. These techniques have been used to quantify the adsorption of various ions (Na+, Rb+, Ca2+, Sr2+, Cl-) on rutile, at ionic strengths up to 1.0 molality and temperatures to 250° C. The crystalline rutile used in these studies is less than 400 nm in diameter, has a BET surface area of 17 m2/g, and the 110 and 100 faces predominate. The negative surface charge of the rutile was enhanced by increasing temperature, increasing ionic strength, and decreasing the ionic radii of the electrolyte cation. Moreover, the addition of a divalent cation significantly enhances the negative charge of the rutile surface. These data have been rationalized with the MUSIC model of Hiemestra and van Riemsdijk, and a Basic Stern layer description of the electric double layer (EDL). Model fitting of the experimental data provides binding constants for the adsorbed counterions and divalent cations, and capacitance values as well as corresponding electrical potential values of the binding planes. Recently, new studies have been initiated to determine particle size affects on the proton induced surface charge and ion sorption properties of titanium dioxide. In these studies, anatase with a BET surface area of 40 and 100 m2/g (primary particle sizes of 40 and 10 nm, respectively) is being investigated. The complexity of both the experimental and modeling procedures increases with decreasing particle size. For example, the fine

  10. Methanol-to-hydrocarbons conversion over MoO3/H-ZSM-5 catalysts prepared via lower temperature calcination: a route to tailor the distribution and evolution of promoter Mo species, and their corresponding catalytic properties.

    Science.gov (United States)

    Liu, Bonan; France, Liam; Wu, Chen; Jiang, Zheng; Kuznetsov, Vladimir L; Al-Megren, Hamid A; Al-Kinany, Mohammed; Aldrees, Saud A; Xiao, Tiancun; Edwards, Peter P

    2015-09-01

    A series of MoO 3 /H-ZSM-5 (Si/Al = 25) catalysts were prepared via calcination at a lower-than-usual temperature (400 °C) and subsequently evaluated in the methanol-to-hydrocarbon reaction at that same temperature. The catalytic properties of those catalysts were compared with the sample prepared at the more conventional, higher temperature of 500 °C. For the lower temperature preparations, molybdenum oxide was preferentially dispersed over the zeolite external surface, while only the higher loading level of MoO 3 (7.5 wt% or higher) led to observable inner migration of the Mo species into the zeolite channels, with concomitant partial loss of the zeolite Brønsted acidity. On the MoO 3 modified samples, the early-period gas yield, especially for valuable propylene and C 4 products, was noticeably accelerated, and is gradually converted into an enhanced liquid aromatic formation. The 7.5 wt% MoO 3 /H-ZSM-5 sample prepared at 400 °C thereby achieved a balance between the zeolite surface dispersion of Mo species, their inner channel migration and the corresponding effect on the intrinsic Brønsted acidity of the acidic zeolite. That loading level also possessed the highest product selectivity (after 5 h reaction) to benzene, toluene and xylenes, as well as higher early-time valuable gas product yields in time-on-stream experiments. However, MoO 3 loading levels of 7.5 wt% and above also resulted in earlier catalyst deactivation by enhanced coke accumulation at, or near, the zeolite channel openings. Our research illustrates that the careful adoption of moderate/lower temperature dispersion processes for zeolite catalyst modification gives considerable potential for tailoring and optimizing the system's catalytic performance.

  11. 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.

  12. Influence of surface roughness on the friction property of textured surface

    Directory of Open Access Journals (Sweden)

    Yuankai Zhou

    2015-02-01

    Full Text Available In contrast with dimple textures, surface roughness is a texture at the micro-scale, essentially which will influence the load-bearing capacity of lubricant film. The numerical simulation was carried out to investigate the influence of surface roughness on friction property of textured surface. The lubricant film pressure was obtained using the method of computational fluid dynamics according to geometric model of round dimple, and the renormalization-group k–ε turbulent model was adopted in the computation. The numerical simulation results suggest that there is an optimum dimensionless surface roughness, and near this value, the maximum load-bearing capacity can be achieved. The load-bearing capacity is determined by the surface texture, the surface roughness, and the interaction between them. To get information of friction coefficient, the experiments were conducted. This experiment was used to evaluate the simulation. The experimental results show that for the frequency of 4 and 6 Hz, friction coefficient decreases at first and then increases with decreasing surface roughness, which indicates that there exists the optimum region of surface roughness leading to the best friction reduction effect, and it becomes larger when area fractions increase from 2% to 10%. The experimental results agree well with the simulation results.

  13. Mutual influence of secondary and key drug-resistance mutations on catalytic properties and thermal stability of TEM-type β-lactamases.

    Science.gov (United States)

    Grigorenko, Vitaly; Uporov, Igor; Rubtsova, Maya; Andreeva, Irina; Shcherbinin, Dmitrii; Veselovsky, Alexander; Serova, Oksana; Ulyashova, Maria; Ishtubaev, Igor; Egorov, Alexey

    2018-01-01

    Highly mutable β-lactamases are responsible for the ability of Gram-negative bacteria to resist β-lactam antibiotics. Using site-directed mutagenesis technique, we have produced in vitro a number of recombinant analogs of naturally occurring TEM-type β-lactamases, bearing the secondary substitution Q39K and key mutations related to the extended-spectrum (E104K, R164S) and inhibitor-resistant (M69V) β-lactamases. The mutation Q39K alone was found to be neutral and hardly affected the catalytic properties of β-lactamases. However, in combination with the key mutations, this substitution resulted in decreased K M values towards hydrolysis of a chromogenic substrate, CENTA. The ability of enzymes to restore catalytic activity after exposure to elevated temperature has been examined. All double and triple mutants of β-lactamase TEM-1 bearing the Q39K substitution showed lower thermal stability compared with the enzyme with Q39 intact. A sharp decrease in the stability was observed when Q39K was combined with E104K and M69V. The key R164S substitution demonstrated unusual ability to resist thermal inactivation. Computer analysis of the structure and molecular dynamics of β-lactamase TEM-1 revealed a network of hydrogen bonds from the residues Q39 and K32, related to the N-terminal α-helix, towards the residues R244 and G236, located in the vicinity of the enzyme's catalytic site. Replacement of Q39 by lysine in combination with the key drug resistance mutations may be responsible for loss of protein thermal stability and elevated mobility of its secondary structure elements. This effect on the activity of β-lactamases can be used as a new potential target for inhibiting the enzyme.

  14. Do organic solvents affect the catalytic properties of lipase? Intrinsic kinetic parameters of lipases in ester hydrolysis and formation in various organic solvents

    Energy Technology Data Exchange (ETDEWEB)

    Tol, J.B.A. van; Stevens, R.M.M.; Veldhuizen, W.J.; Jongejan, J.A.; Duine, J.A. [Delft Univ. of Technology (Netherlands)

    1995-07-05

    When it is assumed that organic solvents do not interfere with the binding process nor with the catalytic mechanism, the contribution of substrate-solvent interactions to enzyme kinetics can be accounted for by just replacing substrate concentrations in the equations by thermodynamic activities. It appears from the transformation that only the affinity parameters (K{sub m},k{sub sp}) are affected by this. Thus, in theory, the values of these corrected, intrinsic parameters (K{sub m}{sup int}, k{sub sp}{sup int}) and the maximal rate (V{sub 1}) should be equal for all media. This was tested for hydrolysis, transesterification, and esterification reactions catalyzed by pig pancreas lipase and Pseudomonas cepacia lipase in various organic solvents. Correction was carried out via experimentally determined activity coefficients for the substrates in these solvents or, if not feasible, from values in data bases. However, although the kinetic performances of each enzyme in the solvents became much more similar after correction, differences still remained. Analysis of the enzyme suspensions revealed massive particles, which explains the low activity of enzymes in organic solvents. However, no correlation was found between estimates of the amount of catalytically available enzyme (present at the surface of suspended particles or immobilized on beads) and the maximal rates observed. Moreover, the solvents had similar effects on the intrinsic parameters of suspended and immobilized enzyme. The possible causes for the effects of the solvents on the catalytic performance of the enzymes, remaining after correction for solvent-substrate interactions and the amount of participating enzyme, are discussed with respect to the premises on which the correction method is based.

  15. Fabrication of CeO2–MOx (M = Cu, Co, Ni composite yolk–shell nanospheres with enhanced catalytic properties for CO oxidation

    Directory of Open Access Journals (Sweden)

    Ling Liu

    2017-11-01

    Full Text Available CeO2–MOx (M = Cu, Co, Ni composite yolk–shell nanospheres with uniform size were fabricated by a general wet-chemical approach. It involved a non-equilibrium heat-treatment of Ce coordination polymer colloidal spheres (Ce-CPCSs with a proper heating rate to produce CeO2 yolk–shell nanospheres, followed by a solvothermal treatment of as-synthesized CeO2 with M(CH3COO2 in ethanol solution. During the solvothermal process, highly dispersed MOx species were decorated on the surface of CeO2 yolk–shell nanospheres to form CeO2–MOx composites. As a CO oxidation catalyst, the CeO2–MOx composite yolk–shell nanospheres showed strikingly higher catalytic activity than naked CeO2 due to the strong synergistic interaction at the interface sites between MOx and CeO2. Cycling tests demonstrate the good cycle stability of these yolk–shell nanospheres. The initial concentration of M(CH3COO2·xH2O in the synthesis process played a significant role in catalytic performance for CO oxidation. Impressively, complete CO conversion as reached at a relatively low temperature of 145 °C over the CeO2–CuOx-2 sample. Furthermore, the CeO2–CuOx catalyst is more active than the CeO2–CoOx and CeO2–NiO catalysts, indicating that the catalytic activity is correlates with the metal oxide. Additionally, this versatile synthesis approach can be expected to create other ceria-based composite oxide systems with various structures for a broad range of technical applications.

  16. Catalytic devices

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ming; Zhang, Xiang

    2018-01-23

    This disclosure provides systems, methods, and apparatus related to catalytic devices. In one aspect, a device includes a substrate, an electrically insulating layer disposed on the substrate, a layer of material disposed on the electrically insulating layer, and a catalyst disposed on the layer of material. The substrate comprises an electrically conductive material. The substrate and the layer of material are electrically coupled to one another and configured to have a voltage applied across them.

  17. Magnetic nanoparticles: surface effects and properties related to biomedicine applications.

    Science.gov (United States)

    Issa, Bashar; Obaidat, Ihab M; Albiss, Borhan A; Haik, Yousef

    2013-10-25

    Due to finite size effects, such as the high surface-to-volume ratio and different crystal structures, magnetic nanoparticles are found to exhibit interesting and considerably different magnetic properties than those found in their corresponding bulk materials. These nanoparticles can be synthesized in several ways (e.g., chemical and physical) with controllable sizes enabling their comparison to biological organisms from cells (10-100 μm), viruses, genes, down to proteins (3-50 nm). The optimization of the nanoparticles' size, size distribution, agglomeration, coating, and shapes along with their unique magnetic properties prompted the application of nanoparticles of this type in diverse fields. Biomedicine is one of these fields where intensive research is currently being conducted. In this review, we will discuss the magnetic properties of nanoparticles which are directly related to their applications in biomedicine. We will focus mainly on surface effects and ferrite nanoparticles, and on one diagnostic application of magnetic nanoparticles as magnetic resonance imaging contrast agents.

  18. Mechanical properties and surface characteristics of three archwire alloys.

    Science.gov (United States)

    Krishnan, Vinod; Kumar, K Jyothindra

    2004-12-01

    Recent developments in material science have presented newer archwire materials as well as improvements in the properties of existing ones. Proper selection and understanding of the biomechanical requirement of each case requires proper characterization studies on archwire alloys. The present study characterizes and compares three orthodontic archwire alloys, stainless steel, beta titanium alloy (TMA), and a newly introduced titanium alloy (TiMolium), for the parameters (1) ultimate tensile strength (UTS), 0.02% offset yield strength (YS), and modulus of elasticity (E); (2) load deflection characteristics; (3) frictional properties; (4) surface characteristics and (5) elemental analysis for TiMolium. Seven specimens of each archwire alloy were used for evaluating each parameter. An instron universal testing machine was used for tensile testing, three-point bend testing, and evaluation of frictional characteristics. Scanning electron microscope was used for surface evaluation and X-ray fluorescence for elemental analysis of TiMolium wire specimens. Stainless steel was the strongest archwire alloy with high UTS, E, 0.02% offset YS, and less friction at the archwire-bracket interface. TMA wires exhibited better load deflection characteristics with less stiffness than the other two wires. The surface of TMA appeared rough and exhibited very high values for friction at the archwire-bracket interface. TiMolium appeared to be an alpha-beta titanium alloy composed of titanium, aluminum, and vanadium and intermediate in nature for all the parameters evaluated.

  19. Combined surface acoustic wave and surface plasmon resonance measurement of collagen and fibrinogen layer physical properties

    Directory of Open Access Journals (Sweden)

    J.-M. Friedt

    2016-12-01

    Full Text Available We use an instrument combining optical (surface plasmon resonance and acoustic (Love mode surface acoustic wave device real-time measurements on a same surface for the identification of water content in collagen and fibrinogen protein layers. After calibration of the surface acoustic wave device sensitivity by copper electrodeposition and surfactant adsorption, the bound mass and its physical properties – density and optical index – are extracted from the complementary measurement techniques and lead to thickness and water ratio values compatible with the observed signal shifts. Such results are especially usefully for protein layers with a high water content as shown here for collagen on an hydrophobic surface. We obtain the following results: collagen layers include 70±20% water and are 16±3 to 19±3 nm thick for bulk concentrations ranging from 30 to 300 μg/ml. Fibrinogen layers include 50±10% water for layer thicknesses in the 6±1.5 to 13±2 nm range when the bulk concentration is in the 46 to 460 μg/ml range. Keywords: surface acoustic wave, surface plasmon resonance, collagen, fibrinogen, density, thickness

  20. Nonlinear mean field theory for nuclear matter and surface properties

    International Nuclear Information System (INIS)

    Boguta, J.; Moszkowski, S.A.

    1983-01-01

    Nuclear matter properties are studied in a nonlinear relativistic mean field theory. We determine the parameters of the model from bulk properties of symmetric nuclear matter and a reasonable value of the effective mass. In this work, we stress the nonrelativistic limit of the theory which is essentially equivalent to a Skyrme hamiltonian, and we show that most of the results can be obtained, to a good approximation, analytically. The strength of the required parameters is determined from the binding energy and density of nuclear matter and the effective nucleon mass. For realistic values of the parameters, the nonrelativistic approximation turns out to be quite satisfactory. Using reasonable values of the parameters, we can account for other key properties of nuclei, such as the spin-orbit coupling, surface energy, and diffuseness of the nuclear surface. Also the energy dependence of the nucleon-nucleus optical model is accounted for reasonably well except near the Fermi surface. It is found, in agreement with empirical results, that the Landau parameter F 0 is quite small in normal nuclear matter. Both density dependence and momentum dependence of the NN interaction, but especially the former, are important for nuclear saturation. The required scalar and vector coupling constants agree fairly well with those obtained from analyses of NN scattering phase shifts with one-boson-exchange models. The mean field theory provides a semiquantitative justification for the weak Skyrme interaction in odd states. The strength of the required nonlinear term is roughly consistent with that derived using a new version of the chiral mean field theory in which the vector mass as well as the nucleon mass is generated by the sigma-field. (orig.)

  1. Microstructure and surface mechanical properties of pulse electrodeposited nickel

    Energy Technology Data Exchange (ETDEWEB)

    Ul-Hamid, A., E-mail: anwar@kfupm.edu.sa [Center of Research Excellence in Corrosion (CoRE-C), Research Institute, King Fahd University of Petroleum and Minerals, P.O. Box 1073, Dhahran 31261 (Saudi Arabia); Dafalla, H.; Quddus, A.; Saricimen, H.; Al-Hadhrami, L.M. [Center of Research Excellence in Corrosion (CoRE-C), Research Institute, King Fahd University of Petroleum and Minerals, P.O. Box 1073, Dhahran 31261 (Saudi Arabia)

    2011-09-01

    The surface of carbon steel was modified by electrochemical deposition of Ni in a standard Watt's bath using dc and pulse plating electrodeposition. The aim was to compare the microstructure and surface mechanical properties of the deposit obtained by both techniques. Materials characterization was conducted using field emission scanning electron microscope fitted with scanning transmission electron detector, atomic force microscope and X-ray diffractometer. Nanoindentation hardness, elastic modulus, adhesion, coefficients of friction and wear rates were determined for both dc and pulse electrodeposits. Experimental results indicate that pulse electrodeposition produced finer Ni grains compared to dc plating. Size of Ni grains increased with deposition. Both dc and pulse deposition resulted in grain growth in preferred (2 0 0) orientation. However, presence of Ni (1 1 1) grains increased in deposits produced by pulse deposition. Pulse plated Ni exhibited higher hardness, creep and coefficient of friction and lower modulus of elasticity compared to dc plated Ni.

  2. Surface Properties of Metal Hydroxide Microparticles in the Ambient Air

    Directory of Open Access Journals (Sweden)

    Zakharenko Valery

    2017-01-01

    Full Text Available The adsorption and photoadsorption properties of Mg(OH2 and Ca(OH2 microparticles in the ambient air were investigated. The compositional analysis of an adsorption layer of microparticles was carried out. The kinetics of photodesorption of molecules from microcrystal surfaces and the interaction of HCFC-22 (CHF2Cl in the dark and under light were studied. Quantum yields and their spectral dependencies were determined for CO2 photodesorption, O2 and CO photoadsorption. The effect of weakly bound CO displacement from the surface of microparticles was revealed during dark adsorption of HCFC-22. It is supposed that adsorbed CO is formed as a result of atmospheric CO2 reduction after the break of Mg—OH bonds. In case of calcium hydroxide, CO is generated during the interaction of calcium hydroxide with carbon dioxide in the presence of water.

  3. Molecular dynamics simulations on surface properties of silicon dioxide melts

    CERN Document Server

    Röder, A

    2000-01-01

    In the present thesis the surface properties of a silicon dioxide melt were studied. As first systems drops (i.e. sytems without periodic boundary conditions) of N=432, 1536, as well as 4608 atoms were considered. The second analyzed geometry corresponds to that of a thin film, i. e. periodic boundary conditions in x- and y-direction were present, while in z-direction one had a free surface. In this case a system of N=1152 atoms was considered. As model potential the two-body potential proposed by Beest, Kramer, and van Santen was applied. For both geometries five temperatures were considered, which lied in the range of 3000 K

  4. Temperature-controlled two new Co(II) compounds with distinct topological networks: Syntheses, crystal structures and catalytic properties

    Science.gov (United States)

    Meng, Qing-Hua; Long, Xu; Liu, Jing-Li; Zhang, Shuan; Zhang, Guang-Hui

    2018-04-01

    Two new Co(II) coordination compounds, namely [Co2(bptc)(bpp)2]n (1) and [Co(bptc)0.5(bpp)]n (2) (H4bptc = biphenyl-3,3‧,5,5‧-tetracarboxylic acid, bpp = 1,3-di(4-pyridyl)propane), have been hydrothermally synthesized from the same reactants via tuning the reaction temperature. Single crystal X-ray diffraction analyses revealed that both 1 and 2 feature 2D sheet motifs. Topological analyses revealed that compounds 1 and 2 show distinct topological networks. Under the weak Van der Waals interactions, the 2D sheet motifs of compounds 1 and 2 are further packed into 2D→3D interdigitated supramolecular frameworks. Moreover, the two Co(II) compounds show high catalytic activities for degradation of methyl orange (MO) in a Fenten-like process.

  5. Surface properties of poly(imide-co-siloxane) block copolymers

    Czech Academy of Sciences Publication Activity Database

    Novák, I.; Sysel, P.; Chodák, I.; Špírková, Milena; Janigová, I.

    2009-01-01

    Roč. 103, č. 13 (2009), s76-s78 ISSN 0009-2770. [PMA 2009 &20th SRC . Bratislava, 21.04.2009/23.04.2009] R&D Projects: GA AV ČR IAA100100622; GA AV ČR IAA400500505 Grant - others:Slovak Scientific Agency(SK) VEGA2/7103/27 Institutional research plan: CEZ:AV0Z40500505 Keywords : Poly(imide-siloxane) * surface properties * morphology Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.717, year: 2009 http://www.chemicke-listy.cz/docs/full/2009_13_s058-s081.pdf

  6. Surface property modification of coatings via self-stratification

    Science.gov (United States)

    Pieper, Robert Joseph

    Biological fouling occurs everywhere in the marine environment and is a significant problem for marine vessels. Anti-fouling coatings have been used effectively to prevent fouling; however, these coatings harm non-targeted sea-life. Fouling-release coatings (FRC) appear to be an alternative way to combat fouling. FRC do not necessarily prevent the settlement of marine organisms but rather allow their easy removal with application of shear to the coatings surface. These coatings must be non-toxic, non-leaching, have low surface energy, low modulus, and durability to provide easy removal of marine organisms. Here the goal is to develop FRC based on thermosetting siloxane-polyurethane, amphiphilic polyurethane, and zwitterionic/amphiphilic polyurethane systems. A combinatorial high-throughput approach has been taken in order to explore the variables that may affect the performance of the final coatings. Libraries of acrylic polyols were synthesized using combinatorial high-throughput techniques by either batch or semi-batch processes. The design of the experiments for the batch and semi-batch processes were done combinatorially to explore a range of compositions and various reaction process variables that cannot be accomplished or are not suitable for single reaction experiments. Characterization of Rapid-GPC, high-throughput DSC, and gravimetrically calculated percent solids verified the effects of different reaction conditions on the MW, glass transition temperatures, and percent conversion of the different compositions of acrylic polyols. Coatings were characterized for their surface energy, pseudobarnacle pull-off adhesion, and were subjected to bioassays including marine bacteria, algae, and barnacles. From the performance properties results the acrylic polyol containing 20% hydroxyethyl acrylate and 80% butyl acrylate was selected for further siloxane-polyurethane formulations and were subjected to the same physical, mechanical, and performance testing

  7. Molluscicidal properties and selective toxicity of surface-active agents

    Science.gov (United States)

    Visser, S. A.

    1965-01-01

    Of over 100 commercially produced surface-active agents tested against the bilharziasis vector snail Biomphalaria sudanica, 13 were found to possess considerable and highly selective molluscicidal properties at concentrations of less than 1 ppm for exposures of 48 hours. Against crustacea, fish, water plants, mosquito larvae, mice, and the eggs of B. sudanica, the toxicities of the 13 surfactants were slight. The chemicals did not appear to be absorbed by organic matter to any appreciable extent. It is thought that the toxicity to B. sudanica is of both a chemical and a physical nature. PMID:5294185

  8. Effect of nanofillers' size on surface properties after toothbrush abrasion.

    Science.gov (United States)

    Cavalcante, Larissa M; Masouras, Konstantinos; Watts, David C; Pimenta, Luiz A; Silikas, Nick

    2009-02-01

    To investigate the effect of filler-particle size of experimental and commercial resin composites, undergoing toothbrush abrasion, on three surface properties: surface roughness (SR), surface gloss (G) and color stability (CS). Four model (Ivoclar/Vivadent) and one commercial resin composite (Tokuyama) with varying filler-size from 100-1000 nm were examined. Six discs (10 mm x 2 mm) from each product were prepared and mechanically polished. The samples were then submitted to 20,000 brushing strokes in a toothbrush abrasion machine. SR parameters (Ra, Rt and RSm), G, and CS were measured before and after toothbrush abrasion. Changes in SR and G were analyzed by 2-way ANOVA, with Bonferroni post hoc test. CS values were submitted to one-way ANOVA and Bonferroni post hoc test (alpha=0.05). Initial G values ranged between 73-87 gloss units (GU) and were reduced after toothbrush abrasion to a range of 8-64 GU. Toothbrush abrasion resulted in significant modifications in SR and G amongst the materials tested, attributed to filler sizes. There was statistically significant difference in color (delta E* ranged from 0.38-0.88). Filler size did not affect color stability. Toothbrush abrasion resulted in rougher and matte surfaces for all materials tested. Although the individual differences in surface roughness among filler sizes were not always significant, the correlation showed a trend that larger filler sizes resulted in higher surface roughness after abrasion for the SR parameters Ra and Rt (r = 0.95; r = 0.93, respectively). RSm showed an increase after toothbrush abrasion for all resin composites, however no significant correlation was detected (r = 0.21).There was a significant correlation between G and Ra ratios (r = - 0.95).

  9. Surface orientation effects on bending properties of surgical mesh are independent of tensile properties.

    Science.gov (United States)

    Simon, David D; Andrews, Sharon M; Robinson-Zeigler, Rebecca; Valdes, Thelma; Woods, Terry O

    2018-02-01

    Current mechanical testing of surgical mesh focuses primarily on tensile properties even though implanted devices are not subjected to pure tensile loads. Our objective was to determine the flexural (bending) properties of surgical mesh and determine if they correlate with mesh tensile properties. The flexural rigidity values of 11 different surgical mesh designs were determined along three textile directions (machine, cross-machine, and 45° to machine; n = 5 for each) using ASTM D1388-14 while tracking surface orientation. Tensile testing was also performed on the same specimens using ASTM D882-12. Linear regressions were performed to compare mesh flexural rigidity to mesh thickness, areal mass density, filament diameter, ultimate tensile strength, and maximum extension. Of 33 mesh specimen groups, 30 had significant differences in flexural rigidity values when comparing surface orientations (top and bottom). Flexural rigidity and mesh tensile properties also varied with textile direction (machine and cross-machine). There was no strong correlation between the flexural and tensile properties, with mesh thickness having the best overall correlation with flexural rigidity. Currently, surface orientation is not indicated on marketed surgical mesh, and a single mesh may behave differently depending on the direction of loading. The lack of correlation between flexural stiffness and tensile properties indicates the need to examine mesh bending stiffness to provide a more comprehensive understanding of surgical mesh mechanical behaviors. Further investigation is needed to determine if these flexural properties result in the surgical mesh behaving mechanically different depending on implantation direction. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 854-862, 2018. © 2017 Wiley Periodicals, Inc.

  10. Modification of polyvinyl alcohol surface properties by ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Pukhova, I.V., E-mail: ivpuhova@mail.ru [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Kurzina, I.A. [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Savkin, K.P. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Laput, O.A. [National Research Tomsk Polytechnic University, 30 Lenin Ave, Tomsk 634050 (Russian Federation); Oks, E.M. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation)

    2017-05-15

    We describe our investigations of the surface physicochemical properties of polyvinyl alcohol modified by silver, argon and carbon ion implantation to doses of 1 × 10{sup 14}, 1 × 10{sup 15} and 1 × 10{sup 16} ion/cm{sup 2} and energies of 20 keV (for C and Ar) and 40 keV (for Ag). Infrared spectroscopy (IRS) indicates that destructive processes accompanied by chemical bond (−C=O) generation are induced by implantation, and X-ray photoelectron spectroscopy (XPS) analysis indicates that the implanted silver is in a metallic Ag3d state without stable chemical bond formation with polymer chains. Ion implantation is found to affect the surface energy: the polar component increases while the dispersion part decreases with increasing implantation dose. Surface roughness is greater after ion implantation and the hydrophobicity increases with increasing dose, for all ion species. We find that ion implantation of Ag, Ar and C leads to a reduction in the polymer microhardness by a factor of five, while the surface electrical resistivity declines modestly.

  11. Engineered Surface Properties of Porous Tungsten from Cryogenic Machining

    Science.gov (United States)

    Schoop, Julius Malte

    Porous tungsten is used to manufacture dispenser cathodes due to it refractory properties. Surface porosity is critical to functional performance of dispenser cathodes because it allows for an impregnated ceramic compound to migrate to the emitting surface, lowering its work function. Likewise, surface roughness is important because it is necessary to ensure uniform wetting of the molten impregnate during high temperature service. Current industry practice to achieve surface roughness and surface porosity requirements involves the use of a plastic infiltrant during machining. After machining, the infiltrant is baked and the cathode pellet is impregnated. In this context, cryogenic machining is investigated as a substitutionary process for the current plastic infiltration process. Along with significant reductions in cycle time and resource use, surface quality of cryogenically machined un-infiltrated (as-sintered) porous tungsten has been shown to significantly outperform dry machining. The present study is focused on examining the relationship between machining parameters and cooling condition on the as-machined surface integrity of porous tungsten. The effects of cryogenic pre-cooling, rake angle, cutting speed, depth of cut and feed are all taken into consideration with respect to machining-induced surface morphology. Cermet and Polycrystalline diamond (PCD) cutting tools are used to develop high performance cryogenic machining of porous tungsten. Dry and pre-heated machining were investigated as a means to allow for ductile mode machining, yet severe tool-wear and undesirable smearing limited the feasibility of these approaches. By using modified PCD cutting tools, high speed machining of porous tungsten at cutting speeds up to 400 m/min is achieved for the first time. Beyond a critical speed, brittle fracture and built-up edge are eliminated as the result of a brittle to ductile transition. A model of critical chip thickness ( hc ) effects based on cutting

  12. Peanut Shell-Derived Carbon Solid Acid with Large Surface Area and Its Application for the Catalytic Hydrolysis of Cyclohexyl Acetate

    Directory of Open Access Journals (Sweden)

    Wei Xue

    2016-10-01

    Full Text Available A carbon solid acid with large surface area (CSALA was prepared by partial carbonization of H3PO4 pre-treated peanut shells followed by sulfonation with concentrated H2SO4. The structure and acidity of CSALA were characterized by N2 adsorption–desorption, scanning electron microscopy (SEM, X-ray powder diffraction (XRD, 13C cross polarization (CP/magic angle spinning (MAS nuclear magnetic resonance (NMR, X-ray photoelectron spectroscopy (XPS, Fourier transform-infrared spectroscopy (FT-IR, titration, and elemental analysis. The results demonstrated that the CSALA was an amorphous carbon material with a surface area of 387.4 m2/g. SO3H groups formed on the surface with a density of 0.46 mmol/g, with 1.11 mmol/g of COOH and 0.39 mmol/g of phenolic OH. Densities of the latter two groups were notably greater than those observed on a carbon solid acid (CSA with a surface area of 10.1 m2/g. The CSALA catalyst showed better performance than the CSA for the hydrolysis of cyclohexyl acetate to cyclohexanol. Under optimal reaction conditions, cyclohexyl acetate conversion was 86.6% with 97.3% selectivity for cyclohexanol, while the results were 25.0% and 99.4%, respectively, catalyzed by CSA. The high activity of the CSALA could be attributed to its high density of COOH and large surface area. Moreover, the CSALA showed good reusability. Its catalytic activity decreased slightly during the first two cycles due to the leaching of polycyclic aromatic hydrocarbon-containing SO3H groups, and then remained constant during following uses.

  13. High surface area LaMnO3 nanoparticles enhancing electrochemical catalytic activity for rechargeable lithium-air batteries

    Science.gov (United States)

    Li, Chuanhua; Yu, Zhiyong; Liu, Hanxing; Chen, Kang

    2018-02-01

    To improve sluggish kinetics of ORR and OER (oxygen reduction and evolution reaction) on the air electrode, the high surface area LaMnO3 nanoparticle catalysts were synthesized by sol-gel method. The specific surface area of as-synthesized pure phase LaMnO3 nanoparticles is 21.21 m2 g-1. The onset potential of high surface area LaMnO3 in alkaline solution is -0.0202 V which is comparable to commercial Pt/C. When the assembled high surface area LaMnO3-based lithium-air batteries were measured at 100 mA g-1, the initial discharge specific capacity could reach 6851.9 mA h g-1(carbon). In addition, lithium-oxygen batteries including high surface area LaMnO3 catalysts could be cycled for 52 cycles at 200 mA g-1 under a limited discharge-charge depth of 500 mA h gcarbon-1.

  14. Morphology and electronic properties of silicon carbide surfaces

    Science.gov (United States)

    Nie, Shu

    2007-12-01

    Several issues related to SiC surfaces are studied in the thesis using scanning tunneling microscopy/spectroscopy (STM/S) and atomic force microscopy (AFM). Specific surfaces examined include electropolished SiC, epitaxial graphene on SiC, and vicinal (i.e. slightly miscut from a low-index direction) SiC that have been subjected to high temperature hydrogen-etching. The electropolished surfaces are meant to mimic electrochemically etched SiC, which forms a porous network. The chemical treatment of the surface is similar between electropolishing and electrochemical etching, but the etching conditions are slightly different such that the former produces a flat surface (that is amenable to STM study) whereas the latter produces a complex 3-dimensional porous network. We have used these porous SiC layers as semi-permeable membranes in a biosensor, and we find that the material is quite biocompatible. The purpose of the STM/STS study is to investigate the surface properties of the SiC on the atomic scale in an effort to explain this biocompatibility. The observed tunneling spectra are found to be very asymmetric, with a usual amount of current at positive voltages but no observable current at negative voltages. We propose that this behavior is due to surface charge accumulating on an incompletely passivated surface. Measurements on SiC surfaces prepared by various amounts of hydrogen-etching are used to support this interpretation. Comparison with tunneling computations reveals a density of about 10 13 cm-2 fixed charges on both the electro-polished and the H-etched surfaces. The relatively insulating nature observed on the electro-polished SiC surface may provide an explanation for the biocompatibility of the surface. Graphene, a monolayer of carbon, is a new material for electronic devices. Epitaxial graphene on SiC is fabricated by the Si sublimation method in which a substrate is heated up to about 1350°C in ultra-high vacuum (UHV). The formation of the graphene is

  15. Electronic properties of semiconductor surfaces and metal/semiconductor interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tallarida, M.

    2005-05-15

    This thesis reports investigations of the electronic properties of a semiconductor surface (silicon carbide), a reactive metal/semiconductor interface (manganese/silicon) and a non-reactive metal/semiconductor interface (aluminum-magnesium alloy/silicon). The (2 x 1) reconstruction of the 6H-SiC(0001) surface has been obtained by cleaving the sample along the (0001) direction. This reconstruction has not been observed up to now for this compound, and has been compared with those of similar elemental semiconductors of the fourth group of the periodic table. This comparison has been carried out by making use of photoemission spectroscopy, analyzing the core level shifts of both Si 2p and C 1s core levels in terms of charge transfer between atoms of both elements and in different chemical environments. From this comparison, a difference between the reconstruction on the Si-terminated and the C-terminated surface was established, due to the ionic nature of the Si-C bond. The growth of manganese films on Si(111) in the 1-5 ML thickness range has been studied by means of LEED, STM and photoemission spectroscopy. By the complementary use of these surface science techniques, two different phases have been observed for two thickness regimes (<1 ML and >1 ML), which exhibit a different electronic character. The two reconstructions, the (1 x 1)-phase and the ({radical}3 x {radical}3)R30 -phase, are due to silicide formation, as observed in core level spectroscopy. The growth proceeds via island formation in the monolayer regime, while the thicker films show flat layers interrupted by deep holes. On the basis of STM investigations, this growth mode has been attributed to strain due to lattice mismatch between the substrate and the silicide. Co-deposition of Al and Mg onto a Si(111) substrate at low temperature (100K) resulted in the formation of thin alloy films. By varying the relative content of both elements, the thin films exhibited different electronic properties

  16. Comparative study of the anchorage and the catalytic properties of nanoporous TiO2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes

    Science.gov (United States)

    Oyarzún, Diego P.; Chardon-Noblat, Sylvie; Linarez Pérez, Omar E.; López Teijelo, Manuel; Zúñiga, César; Zarate, Ximena; Shott, Eduardo; Carreño, Alexander; Arratia-Perez, Ramiro

    2018-02-01

    In this article we study the anchoring of cis-[Ru(bpyC4pyr)(CO)2(CH3CN)2]2+, cis-[Ru(bpy)2(CO)2]2+ and cis-[Ru(bpyac)(CO)2Cl2], onto nanoporous TiO2 employing electropolymerization, electrostatic interaction and chemical bonding. Also, the [Re(bpyac)(CO)3Cl] rhenium(I) complex for chemical anchorage was analyzed. The characterization of TiO2/Ru(II) and TiO2/Re(I) nanocomposite films was performed by field emission scanning electron microscopy (FESEM), electron dispersive X-ray spectroscopy (EDS) and Raman spectroscopy. In addition, for the more stable nanocomposites obtained, the catalytic properties (solar energy conversion and CO2 reduction) were evaluated. The efficiency improvement in redox process derived from the (photo)electrochemical evidence indicates that modified nanoporous TiO2 structures enhance the rate of charge transfer reactions.

  17. Controllable surface morphology and properties via mist polymerization on a plasma-treated polymethyl methacrylate surface.

    Science.gov (United States)

    Wan, S J; Wang, L; Xu, X J; Zhao, C H; Liu, X D

    2014-02-14

    Surface modification by grafting polymers on solid materials is an important strategy used to improve surface properties. This article reports that under appropriate conditions, very thin layers with desired morphologies may be constructed on a plasma-treated substrate by feeding a small quantity of a monomer with a mist stream carrying droplets produced from monomer solutions. We investigate the effects of process parameters that affect layer morphology, including exposure time to the mist stream, concentration of the monomer solution, and solvent selectivity. For a methyl methacrylate solution in ethanol, nanoparticles are uniformly grown with increasing monomer concentration or exposure time and finally form a porous layer at 3.65 mol L(-1) for 30 min. Decreasing solvent polarity not only affects surface morphology, but also increases hydrophobicity of the resulting surface. With 2,2,3,4,4,4-hexafluorobutyl methacrylate as the monomer, SEM and AFM micrographs indicated that mist polymerization results in numerous microspheres on the activated surface. These experimental results were interpreted by a mechanism in terms of an in situ polymerization accompanied by a phase transformation of the resulting polymer. Specifically, plasma treatment provides highly active cations and radicals to initiate very rapid polymerization, and the resulting polymers are consequently deposited from the liquid onto the surface under phase transition mechanisms.

  18. Yttrium ion implantation on the surface properties of magnesium

    International Nuclear Information System (INIS)

    Wang, X.M.; Zeng, X.Q.; Wu, G.S.; Yao, S.S.

    2006-01-01

    Owing to their excellent physical and mechanical properties, magnesium and its alloys are receiving more attention. However, their application has been limited to the high reactivity and the poor corrosion resistance. The aim of the study was to investigate the beneficial effects of ion-implanted yttrium using a MEVVA ion implanter on the surface properties of pure magnesium. Isothermal oxidation tests in pure O 2 at 673 and 773 K up to 90 min indicated that the oxidation resistance of magnesium had been significantly improved. Surface morphology of the oxide scale was analyzed using scanning electron microscope (SEM). Auger electron spectroscopy (AES) and X-ray diffraction (XRD) analyses indicated that the implanted layer was mainly composed of MgO and Y 2 O 3 , and the implanted layer with a duplex structure could decrease the inward diffusion of oxygen and reduce the outward diffusion of Mg 2+ , which led to improving the oxidation resistance of magnesium. Potentiodynamic polarization curves were used to evaluate the corrosion resistance of the implanted magnesium. The results show yttrium implantation could enhance the corrosion resistance of implanted magnesium compared with that of pure magnesium

  19. Improved antifouling properties of photobioreactors by surface grafted sulfobetaine polymers.

    Science.gov (United States)

    Wang, Dongwei; Wu, Xia; Long, Lixia; Yuan, Xubo; Zhang, Qinghua; Xue, Shengzhang; Wen, Shumei; Yan, Chenghu; Wang, Jianming; Cong, Wei

    2017-11-01

    To improve the antifouling (AF) properties of photobioreactors (PBR) for microalgal cultivation, using trihydroxymethyl aminomethane (tris) as the linking agent, a series of polyethylene (PE) films grafted with sulfobetaine (PE-SBMA) with grafting density ranging from 23.11 to 112 μg cm -2 were prepared through surface-initiated atom transfer radical polymerization (SI-ATRP). It was found that the contact angle of PE-SBMA films decreased with the increase in the grafting density. When the grafting density was 101.33 μg cm -2 , it reached 67.27°. Compared with the PE film, the adsorption of protein on the PE-SBMA film decreased by 79.84% and the total weight of solid and absorbed microalgae decreased by 54.58 and 81.69%, respectively. Moreover, the transmittance of PE-SBMA film recovered to 86.03% of the initial value after cleaning, while that of the PE film recovered to only 47.27%. The results demonstrate that the AF properties of PE films were greatly improved on polySBMA-grafted surfaces.

  20. Density functional study of structural and catalytic properties of free and supported metal nano cluster; Dichtefunktionalstudie der strukturellen und katalytischen Eigenschaften freier und getraegerter Metallnanocluster

    Energy Technology Data Exchange (ETDEWEB)

    Huber, B.

    2007-04-11

    The structural and catalytic properties of metal clusters were determined in the framework of density functional theory. The first part of this work investigates the electronic and geometrical structure of sodium clusters with up to 309 atoms. The ground-state structures of the clusters are determined and the corresponding electronic density of states is compared to experimental photoelectron spectras. The excellent agreement to the experimental results indicates that the correct growth motive of the sodium clusters was found. Small clusters from Na{sup -}{sub 20} to Na{sup -}{sub 42} prefer pentagonal and icosahedral structures with anti-Mackay overlayers, while clusters larger than Na{sup -}{sub 50} prefer icosahedral structures with Mackay overlayers. Clusters between the closed-shell Mackay Clusters often exhibit a twist deformation with respect to the regular Mackay positions. The second part of this work investigates the catalytic properties of free and supported palladium clusters. For both cases the oxidation of small Pd{sub N} clusters (N {<=} 9) was studied. It turned out that MgO supported Pd-clusters dissociate oxygen with a significant lower reaction energy than free clusters or supported systems with particles consisting of several thousands of atoms. The reaction with oxygen transforms the non-crystalline Pd-clusters into crystalline Pd{sub x}O{sub y} nano-oxide clusters that are in epitaxy with the underlying support. Simulations of the CO oxidation on the Pd{sub x}O{sub y} cluster predict a low-temperature reaction mechanism. By calculating the electronic density of states and CO stretch frequencies, different ways of verifying the results experimentally are discussed. (orig.)

  1. An attempt to correlate surface physics with chemical properties: molecular beam and Kelvin probe investigations of Ce1-xZrxO2 thin films.

    Science.gov (United States)

    Kolekar, Sadhu K; Dubey, Anjani; Date, Kalyani S; Datar, Suwarna; Gopinath, Chinnakonda S

    2016-10-05

    What is the correlation between physical properties of the surfaces (such as surface potential, electronic nature of the surface), and chemical and catalysis properties (such as chemisorption, sticking probability of surface)? An attempt has been made to explore any correlation that might exist between the physical and chemical properties of thin film surfaces. Kelvin probe microscopy (KPM) and the molecular beam (MB) methods were employed to carry out the surface potential, and oxygen adsorption and oxygen storage capacity (OSC) measurements on Ce 1-x Zr x O 2 thin films. A sol-gel synthesis procedure and spin-coating deposition method have been applied to make continuous nanocrystalline Ce 1-x Zr x O 2 (x = 0-1) (CZ) thin films with uniform thickness (35-50 nm); however, surface roughness and porosity inherently changes with CZ composition. MB studies of O 2 adsorption on CZ reveal high OSC for Ce 0.9 Zr 0.1 O 2 , which also exhibits highly porous and significantly rough surface characteristics. The surface potential observed from KPM studies varied between 30 and 80 mV, with Ce-rich compositions exhibiting the highest surface potential. Surface potential shows large changes after reduction or oxidation of the CZ film demonstrating the influence of Ce 3+ /Ce 4+ on surface potential, which is also a key to catalytic activity for ceria-based catalysts. The surface potential measured from KPM and the OSC measured from MB vary linearly and they depend on the Ce 3+ /Ce 4+ ratio. More and detailed studies are suggested to arrive at a correlation between the physical and chemical properties of the surfaces.

  2. Surface structure, crystallographic and ice-nucleating properties of cellulose

    Science.gov (United States)

    Hiranuma, Naruki; Möhler, Ottmar; Kiselev, Alexei; Saathoff, Harald; Weidler, Peter; Shutthanandan, Shuttha; Kulkarni, Gourihar; Jantsch, Evelyn; Koop, Thomas

    2015-04-01

    Increasing evidence of the high diversity and efficient freezing ability of biological ice-nucleating particles is driving a reevaluation of their impact upon climate. Despite their potential importance, little is known about their atmospheric abundance and ice nucleation efficiency, especially non-proteinaceous ones, in comparison to non-biological materials (e.g., mineral dust). Recently, microcrystalline cellulose (MCC; non-proteinaceous plant structural polymer) has been identified as a potential biological ice-nucleating particle. However, it is still uncertain if the ice-nucleating activity is specific to the MCC structure or generally relevant to all cellulose materials, such that the results of MCC can be representatively scaled up to the total cellulose content in the atmosphere to address its role in clouds and the climate system. Here we use the helium ion microscopy (HIM) imaging and the X-ray diffraction (XRD) technique to characterize the nanoscale surface structure and crystalline properties of the two different types of cellulose (MCC and fibrous cellulose extracted from natural wood pulp) as model proxies for atmospheric cellulose particles and to assess their potential accessibility for water molecules. To complement these structural characterizations, we also present the results of immersion freezing experiments using the cold stage-based droplet freezing BINARY (Bielefeld Ice Nucleation ARaY) technique. The HIM results suggest that both cellulose types have a complex porous morphology with capillary spaces between the nanoscale fibrils over the microfiber surface. These surface structures may make cellulose accessible to water. The XRD results suggest that the structural properties of both cellulose materials are in agreement (i.e., P21 space group; a=7.96 Å, b=8.35 Å, c=10.28 Å) and comparable to the crystallographic properties of general monoclinic cellulose (i.e., Cellulose Iβ). The results obtained from the BINARY measurements suggest

  3. Single-Site VO x Moieties Generated on Silica by Surface Organometallic Chemistry: A Way To Enhance the Catalytic Activity in the Oxidative Dehydrogenation of Propane

    KAUST Repository

    Barman, Samir

    2016-07-26

    We report here an accurate surface organometallic chemistry (SOMC) approach to propane oxidative dehydrogenation (ODH) using a μ2-oxo-bridged, bimetallic [V2O4(acac)2] (1) (acac = acetylacetonate anion) complex as a precursor. The identity and the nuclearity of the product of grafting and of the subsequent oxidative treatment have been systematically studied by means of FT-IR, Raman, solid-state (SS) NMR, UV-vis DRS, EPR and EXAFS spectroscopies. We show that the grafting of 1 on the silica surface under a rigorous SOMC protocol and the subsequent oxidative thermal treatment lead exclusively to well-defined and isolated monovanadate species. The resulting material has been tested for the oxidative dehydrogenation of propane in a moderate temperature range (400-525 °C) and compared with that of silica-supported vanadium catalysts prepared by the standard impregnation technique. The experimental results show that the catalytic activity in propane ODH is strongly upgraded by the degree of isolation of the VOx species that can be achieved by employing the SOMC protocol. © 2016 American Chemical Society.

  4. Efficient catalytic As(III) oxidation on the surface of ferrihydrite in the presence of aqueous Mn(II).

    Science.gov (United States)

    Lan, Shuai; Ying, Hong; Wang, Xiaoming; Liu, Fan; Tan, Wenfeng; Huang, Qiaoyun; Zhang, Jing; Feng, Xionghan

    2018-01-01

    Arsenic is a carcinogenic element that exists primarily as arsenate [As(V)] and arsenite [As(III)] in the nature environment, with As(III) being more toxic and mobile of the two species. In addition, ferrihydrite, which is widely distributed in soils and aquatic environments, can catalyze the oxidation of Mn(II) and accelerate the formation of high-valence Mn, which can significantly influence the speciation, toxicity, and mobility of As when these species co-exist. In this context, we herein explored the mechanism of As(III) oxidation in the presence of ferrihydrite and Mn(II) using a kinetic approach combined with multiple spectroscopic techniques, including X-ray absorption near edge spectroscopy, in situ horizontal attenuated total-reflectance Fourier transform infrared spectroscopy, and in situ quick scanning X-ray absorption spectroscopy. Our results indicate that efficient As(III) oxidation by dissolved O 2 occurs on the surface of ferrihydrite in the presence of aqueous Mn(II). Compared with As(III) oxidation in the presence of ferrihydrite and Mn oxides (i.e., Mn oxides/hydroxides), the degree of As(III) oxidation in the ferrihydrite-Mn(II) system was significantly higher, and the majority of generated As(V) was adsorbed on the mineral (i.e., ferrihydrite) surface. Furthermore, As(III) oxidation was enhanced upon increasing both the molar ratio of Mn(II)/As(III) and the solution pH. The greater As(III) oxidation by O 2 in the ferrihydrite-Mn(II) system was mainly attributed to the formation of a strong oxidant of the instantaneous intermediate Mn(III) species via Mn(II) oxidation under catalysis by the ferrihydrite surface. Moreover, As(III) oxidation occurred mainly on the ferrihydrite surface and was accompanied by the regeneration of Mn(II), thereby rendering it recyclable. These results therefore provide new insights into the mechanism of As(III) oxidation on the surfaces of Fe oxides (i.e., Fe oxides/hydroxides) in the presence of aqueous Mn(II) as

  5. Constructing Sheet-On-Sheet Structured Graphitic Carbon Nitride/Reduced Graphene Oxide/Layered MnO2 Ternary Nanocomposite with Outstanding Catalytic Properties on Thermal Decomposition of Ammonium Perchlorate

    Science.gov (United States)

    Xu, Jianhua; Li, Dongnan; Chen, Yu; Tan, Linghua; Kou, Bo; Wan, Fushun; Jiang, Wei; Li, Fengsheng

    2017-01-01

    We unprecedentedly report that layered MnO2 nanosheets were in situ formed onto the surface of covalently bonded graphitic carbon nitride/reduced graphene oxide nanocomposite (g-C3N4/rGO), forming sheet-on-sheet structured two dimension (2D) graphitic carbon nitride/reduced graphene oxide/layered MnO2 ternary nanocomposite (g-C3N4/rGO/MnO2) with outstanding catalytic properties on thermal decomposition of ammonium perchlorate (AP). The covalently bonded g-C3N4/rGO was firstly prepared by the calcination of graphene oxide-guanidine hydrochloride precursor (GO-GndCl), following by its dispersion into the KMnO4 aqueous solution to construct the g-C3N4/rGO/MnO2 ternary nanocomposite. FT-IR, XRD, Raman as well as the XPS results clearly demonstrated the chemical interaction between g-C3N4, rGO and MnO2. TEM and element mapping indicated that layered g-C3N4/rGO was covered with thin MnO2 nanosheets. Furthermore, the obtained g-C3N4/rGO/MnO2 nanocomposite exhibited promising catalytic capacity on thermal decomposition of AP. Upon addition of 2 wt % g-C3N4/rGO/MnO2 ternary nanocomposite as catalyst, the thermal decomposition temperature of AP was largely decreased up by 142.5 °C, which was higher than that of pure g-C3N4, g-C3N4/rGO and MnO2, respectively, demonstrating the synergistic catalysis of the as-prepared nanocomposite. PMID:29244721

  6. Constructing Sheet-On-Sheet Structured Graphitic Carbon Nitride/Reduced Graphene Oxide/Layered MnO2 Ternary Nanocomposite with Outstanding Catalytic Properties on Thermal Decomposition of Ammonium Perchlorate

    Directory of Open Access Journals (Sweden)

    Jianhua Xu

    2017-12-01

    Full Text Available We unprecedentedly report that layered MnO2 nanosheets were in situ formed onto the surface of covalently bonded graphitic carbon nitride/reduced graphene oxide nanocomposite (g-C3N4/rGO, forming sheet-on-sheet structured two dimension (2D graphitic carbon nitride/reduced graphene oxide/layered MnO2 ternary nanocomposite (g-C3N4/rGO/MnO2 with outstanding catalytic properties on thermal decomposition of ammonium perchlorate (AP. The covalently bonded g-C3N4/rGO was firstly prepared by the calcination of graphene oxide-guanidine hydrochloride precursor (GO-GndCl, following by its dispersion into the KMnO4 aqueous solution to construct the g-C3N4/rGO/MnO2 ternary nanocomposite. FT-IR, XRD, Raman as well as the XPS results clearly demonstrated the chemical interaction between g-C3N4, rGO and MnO2. TEM and element mapping indicated that layered g-C3N4/rGO was covered with thin MnO2 nanosheets. Furthermore, the obtained g-C3N4/rGO/MnO2 nanocomposite exhibited promising catalytic capacity on thermal decomposition of AP. Upon addition of 2 wt % g-C3N4/rGO/MnO2 ternary nanocomposite as catalyst, the thermal decomposition temperature of AP was largely decreased up by 142.5 °C, which was higher than that of pure g-C3N4, g-C3N4/rGO and MnO2, respectively, demonstrating the synergistic catalysis of the as-prepared nanocomposite.

  7. Constructing Sheet-On-Sheet Structured Graphitic Carbon Nitride/Reduced Graphene Oxide/Layered MnO₂ Ternary Nanocomposite with Outstanding Catalytic Properties on Thermal Decomposition of Ammonium Perchlorate.

    Science.gov (United States)

    Xu, Jianhua; Li, Dongnan; Chen, Yu; Tan, Linghua; Kou, Bo; Wan, Fushun; Jiang, Wei; Li, Fengsheng

    2017-12-15

    We unprecedentedly report that layered MnO₂ nanosheets were in situ formed onto the surface of covalently bonded graphitic carbon nitride/reduced graphene oxide nanocomposite (g-C₃N₄/rGO), forming sheet-on-sheet structured two dimension (2D) graphitic carbon nitride/reduced graphene oxide/layered MnO₂ ternary nanocomposite (g-C₃N₄/rGO/MnO₂) with outstanding catalytic properties on thermal decomposition of ammonium perchlorate (AP). The covalently bonded g-C₃N₄/rGO was firstly prepared by the calcination of graphene oxide-guanidine hydrochloride precursor (GO-GndCl), following by its dispersion into the KMnO₄ aqueous solution to construct the g-C₃N₄/rGO/MnO₂ ternary nanocomposite. FT-IR, XRD, Raman as well as the XPS results clearly demonstrated the chemical interaction between g-C₃N₄, rGO and MnO₂. TEM and element mapping indicated that layered g-C₃N₄/rGO was covered with thin MnO₂ nanosheets. Furthermore, the obtained g-C₃N₄/rGO/MnO₂ nanocomposite exhibited promising catalytic capacity on thermal decomposition of AP. Upon addition of 2 wt % g-C₃N₄/rGO/MnO₂ ternary nanocomposite as catalyst, the thermal decomposition temperature of AP was largely decreased up by 142.5 °C, which was higher than that of pure g-C₃N₄, g-C₃N₄/rGO and MnO₂, respectively, demonstrating the synergistic catalysis of the as-prepared nanocomposite.

  8. Surface properties, solubility and dissolution kinetics of bamboo phytoliths

    Science.gov (United States)

    Fraysse, Fabrice; Pokrovsky, Oleg S.; Schott, Jacques; Meunier, Jean-Dominique

    2006-04-01

    Although phytoliths, constituted mainly by micrometric opal, exhibit an important control on silicon cycle in superficial continental environments, their thermodynamic properties and reactivity in aqueous solution are still poorly known. In this work, we determined the solubility and dissolution rates of bamboo phytoliths collected in the Réunion Island and characterized their surface properties via electrophoretic measurements and potentiometric titrations in a wide range of pH. The solubility product of "soil" phytoliths ( pKsp0=2.74 at 25 °C) is equal to that of vitreous silica and is 17 times higher than that of quartz. Similarly, the enthalpy of phytoliths dissolution reaction (ΔHr25-80°C=10.85kJ/mol) is close to that of amorphous silica but is significantly lower than the enthalpy of quartz dissolution. Electrophoretic measurements yield isoelectric point pH IEP = 1.2 ± 0.1 and 2.5 ± 0.2 for "soil" (native) and "heated" (450 °C heating to remove organic matter) phytoliths, respectively. Surface acid-base titrations allowed generation of a 2-p K surface complexation model. Phytoliths dissolution rates, measured in mixed-flow reactors at far from equilibrium conditions at 2 ⩽ pH ⩽ 12, were found to be intermediate between those of quartz and vitreous silica. The dissolution rate dependence on pH was modeled within the concept of surface coordination theory using the equation: R=k1·{>SiOH2+}n+k2·{>SiOH0}+k3·{>SiO-}m, where {> i} stands for the concentration of the surface species present at the SiO 2-H 2O interface, ki are the rate constants of the three parallel reactions and n and m represent the order of the proton- and hydroxy-promoted reactions, respectively. It follows from the results of this study that phytoliths dissolution rates exhibit a minimum at pH ˜ 3. This can explain their good preservation in the acidic soil horizons of Réunion Island. In terms of silicon biogeochemical cycle, phytoliths represent a large buffering reservoir

  9. Surface properties of SAR11 bacteria facilitate grazing avoidance.

    Science.gov (United States)

    Dadon-Pilosof, Ayelet; Conley, Keats R; Jacobi, Yuval; Haber, Markus; Lombard, Fabien; Sutherland, Kelly R; Steindler, Laura; Tikochinski, Yaron; Richter, Michael; Glöckner, Frank Oliver; Suzuki, Marcelino T; West, Nyree J; Genin, Amatzia; Yahel, Gitai

    2017-12-01

    Oceanic ecosystems are dominated by minute microorganisms that play a major role in food webs and biogeochemical cycles 1 . Many microorganisms thrive in the dilute environment due to their capacity to locate, attach to, and use patches of nutrients and organic matter 2,3 . We propose that some free-living planktonic bacteria have traded their ability to stick to nutrient-rich organic particles for a non-stick cell surface that helps them evade predation by mucous filter feeders. We used a combination of in situ sampling techniques and next-generation sequencing to study the biological filtration of microorganisms at the phylotype level. Our data indicate that some marine bacteria, most notably the highly abundant Pelagibacter ubique and most other members of the SAR 11 clade of the Alphaproteobacteria, can evade filtration by slipping through the mucous nets of both pelagic and benthic tunicates. While 0.3 µm polystyrene beads and other similarly-sized bacteria were efficiently filtered, SAR11 members were not captured. Reversed-phase chromatography revealed that most SAR11 bacteria have a much less hydrophobic cell surface than that of other planktonic bacteria. Our data call for a reconsideration of the role of surface properties in biological filtration and predator-prey interactions in aquatic systems.

  10. Identification of rheological properties of human body surface tissue.

    Science.gov (United States)

    Benevicius, Vincas; Gaidys, Rimvydas; Ostasevicius, Vytautas; Marozas, Vaidotas

    2014-04-11

    According to World Health Organization obesity is one of the greatest public health challenges of the 21st century. It has tripled since the 1980s and the numbers of those affected continue to rise at an alarming rate, especially among children. There are number of devices that act as a prevention measure to boost person's motivation for physical activity and its levels. The placement of these devices is not restricted thus the measurement errors that appear because of the body rheology, clothes, etc. cannot be eliminated. The main objective of this work is to introduce a tool that can be applied directly to process measured accelerations so human body surface tissue induced errors can be reduced. Both the modeling and experimental techniques are proposed to identify body tissue rheological properties and prelate them to body mass index. Multi-level computational model composed from measurement device model and human body surface tissue rheological model is developed. Human body surface tissue induced inaccuracies can increase the magnitude of measured accelerations up to 34% when accelerations of the magnitude of up to 27 m/s(2) are measured. Although the timeframe of those disruptions are short - up to 0.2 s - they still result in increased overall measurement error. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Collagen fiber with surface-grafted polyphenol as a novel support for Pd(0) nanoparticles: Synthesis, characterization and catalytic application

    Energy Technology Data Exchange (ETDEWEB)

    Wu Hao [Department of Biomass Chemistry and Engineering, Sichuan University, Chengdu 610065 (China); Wu Chao [National Engineering Laboratory for Clean Technology of Leather Manufacture, Sichuan University, Chengdu 610065 (China); He Qiang [Department of Biomass Chemistry and Engineering, Sichuan University, Chengdu 610065 (China); Liao Xuepin, E-mail: sibitannin@vip.163.com [National Engineering Laboratory for Clean Technology of Leather Manufacture, Sichuan University, Chengdu 610065 (China); Shi Bi, E-mail: xpliao@scu.edu.cn [Department of Biomass Chemistry and Engineering, Sichuan University, Chengdu 610065 (China); National Engineering Laboratory for Clean Technology of Leather Manufacture, Sichuan University, Chengdu 610065 (China)

    2010-06-15

    The aim of this study is to use collagen fiber (CF) as a natural polymeric support to synthesize a novel palladium (Pd) nanoparticle catalyst. To achieve a stable immobilization of Pd on CF support, epigallocatechin-3-gallate (EGCG), a typical plant polyphenol, was grafted onto CF surface, acting both as dispersing and stabilizing agent for Pd nanoparticles. Scanning electron microscopy showed that this catalyst was in ordered fibrous state with high flexibility. The presence of EGCG grafted on CF and the interaction mechanism of Pd ions with support was investigated by X-ray photoelectron spectroscopy. X-ray diffraction and transmission electron microscopy offered evidence that the well-dispersed Pd nanoparticles were generated on the outer surface of CF. By using the hydrogenation of allyl alcohol as a model reaction, the synthesized catalyst presented remarkably improved activity, selectivity and reusability as compared with the Pd catalyst supported by CF without grafting of EGCG.

  12. The Pt-enriched PtNi alloy surface and its excellent catalytic performance in hydrolytic hydrogenation of cellulose.

    Science.gov (United States)

    Liang, Guanfeng; He, Limin; Arai, Masahiko; Zhao, Fengyu

    2014-05-01

    Ni-based catalysts are currently a subject of intense research in the hydrolytic hydrogenation of cellulose. We previously reported that Ni/ZSM-5 catalyst gave high yield of hexitols. However, Ni-based catalysts suffered fast deactivation in hot-compressed water. In this follow-up study we designed highly active Ni-based bimetallic catalysts with excellent hydrothermal stability for the hydrolytic hydrogenation of microcrystalline cellulose. PtNi/ZSM-5 shows a 76.9 % yield of hexitols, which is the best obtained so far in the hydrolytic hydrogenation of microcrystalline cellulose over Ni-based catalysts. Furthermore, the yield of hexitols remained greater than 55 % after the catalyst was reused for 4 times. The results showed that PtNi nanoparticles were formed with a Pt-enriched alloy surface as confirmed by XRD, H2-TPR (temperature-programmed H2 reduction), XPS (X-ray photoelectron spectroscopy), and H2-TPD (temperature-programmed H2 desorption). The surface features of these nano-particles were characterized by CO-TPD (temperature-programmed CO desorption), CO-FTIR (CO adsorption FTIR spectroscopy), HRTEM (high resolution TEM), and O2-TPO (temperature programmed oxidation) and this special surface structure may be responsible for the high activity, selectivity, and stability in the hydrolytic hydrogenation of cellulose in hot-compressed water. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Solvothermal Synthesis of Sphere-Like ZnS Microparticles and Its Visible-Light Catalytic Properties.

    Science.gov (United States)

    Li, Jian; Yan, Long; Wang, Yufei; Kang, Yuhong; Ma, Wei; Liang, Lei

    2018-02-01

    The cauliflower-like ZnS microspheres consisting of the nanospheres were prepared via one step template-free approach employing a solvothermal process using Zn(NO3)2·6H2O and CH4N2S as precursors in the mixture solution. The morphology, structure characterization, and crystal structure of the as-prepared ZnS were performed by X-ray diffraction, scanning electron microscopy, UV-visible absorption, and X-ray photoelectron spectroscopy. The results showed that cauliflowerlike ZnS microspheres were prepared under this condition and the size of the particles were about 3~5 μm. In addition, the excellent photocatalytic activity and degradation mechanism of ZnS microspheres have been investigated and discussed in detail. The degradation of Rhodamine B (RhB) aqueous solution was carried out to investigate the visible-light catalytic activity under metal halide lamp. The results indicated that different size of ZnS had photocatalytic activity to RhB under visible light, and sphere-like ZnS displayed high photodegradation efficiency with degradation rate of 98% within 140 min.

  14. Phytosynthesis of nanoscale ZnAl2O4 by using Sesamum (Sesamum indicum L.) optical and catalytic properties.

    Science.gov (United States)

    Ragupathi, C; Vijaya, J Judith; Manikandan, A; Kennedy, L John

    2013-12-01

    There is a growing concern for the development of alternative environment friendly sustainable methods for the preparation of nanomaterials. Phytosynthesis of nano zinc aluminate by a microwave method using high purity metal nitrates and Sesamum (Sesamum indicum L.) extract is reported in this work. Sesamum (Sesamum indicum L.) extract simplifies the process and provides an alternative method for a simple and economical way of synthesis of nano zinc aluminate. It is also prepared by conventional method for comparison purpose. The obtained nanomaterials were characterized by X-ray diffraction (XRD), fourier transform infrared spectroscopy (FT-IR), high resolution scanning electron microscopy (HR-SEM), high resolution transmission electron microscopy (HR-TEM), energy dispersive X-ray analysis (EDX), nitrogen adsorption/desorption isotherms, diffuse reflectance spectroscopy (DRS) and photoluminescence (PL) spectroscopy. The formation of pure zinc aluminate phase is confirmed by XRD and FT-IR. The change in morphology from nanoplates to nanoporous sheets from the conventional to microwave heating method is clearly shown by HR-SEM. UV-Visible diffuse reflectance spectroscopy (DRS) studies revealed the band gap energy of ZnAl2O4 nanoplates and nanoporous sheets as 4.0 to 4.2 eV respectively. Photoluminescence (PL) emissions are centered at around 480, 519 and 545 nm, respectively. ZnAl2O4 nanoporous sheets prepared by microwave method showed better catalytic activity for the oxidation benzyl alcohol (90%) than ZnAl2O4 nanoplates prepared by conventional method (51%).

  15. The influence of calcination temperatures on the acid-based properties and catalytic activity for the 1,3-butadiene synthesis from ethanol/acetaldehyde mixture

    Science.gov (United States)

    Gao, Meixiang; Jiang, Haoxi; Zhang, Minhua

    2018-05-01

    The influences of the calcination temperature on the catalysts' acid-based properties and catalytic activity for the 1,3-butadiene synthesis from ethanol are investigated. The results show that the 2 wt% ZrO2/Nano-SiO2 calcined at 773 K shows the best performance with the selectivity of 93.18% and conversion of 58.52% when reacted at 593 K, a WHSV of 1.8 h-1 and 3.5:1 volume ratio ethanol-to-acetaldehyde in an atmospheric fixed-bed reactor. Prepared catalysts were characterized by N2 adsorption-desorption, XRD, temperature-programmed desorption of NH3 and CO2, FTIR spectroscopy of adsorbed pyridine and CO2. Based on the relationship between the catalyst activity and its properties, the fact can be presumed that the formation and strength of Zrsbnd Osbnd Si bond determines the acid-based properties of the catalyst. In addition, moderate-intensity weak acid-basic sites are more suitable for ethanol conversion to BD with the amount of acid and basic sites as close as possible.

  16. Monitoring polymer properties using shear horizontal surface acoustic waves.

    Science.gov (United States)

    Gallimore, Dana Y; Millard, Paul J; Pereira da Cunha, Mauricio

    2009-10-01

    Real-time, nondestructive methods for monitoring polymer film properties are increasingly important in the development and fabrication of modern polymer-containing products. Online testing of industrial polymer films during preparation and conditioning is required to minimize material and energy consumption, improve the product quality, increase the production rate, and reduce the number of product rejects. It is well-known that shear horizontal surface acoustic wave (SH-SAW) propagation is sensitive to mass changes as well as to the mechanical properties of attached materials. In this work, the SH-SAW was used to monitor polymer property changes primarily dictated by variations in the viscoelasticity. The viscoelastic properties of a negative photoresist film were monitored throughout the ultraviolet (UV) light-induced polymer cross-linking process using SH-SAW delay line devices. Changes in the polymer film mass and viscoelasticity caused by UV exposure produced variations in the phase velocity and attenuation of the SH-SAW propagating in the structure. Based on measured polymer-coated delay line scattering transmission responses (S(21)) and the measured polymer layer thickness and density, the viscoelastic constants c(44) and eta(44) were extracted. The polymer thickness was found to decrease 0.6% during UV curing, while variations in the polymer density were determined to be insignificant. Changes of 6% in c(44) and 22% in eta(44) during the cross-linking process were observed, showing the sensitivity of the SH-SAW phase velocity and attenuation to changes in the polymer film viscoelasticity. These results indicate the potential for SH-SAW devices as online monitoring sensors for polymer film processing.

  17. Roles of Bulk and Surface Chemistry in the Oxygen Exchange Kinetics and Related Properties of Mixed Conducting Perovskite Oxide Electrodes

    Directory of Open Access Journals (Sweden)

    Nicola H. Perry

    2016-10-01

    Full Text Available Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficiency and lifetime. Desired improvements in catalytic activity for rapid surface oxygen exchange, fast bulk transport (electronic and ionic, and thermo-chemo-mechanical stability of oxygen electrodes will require increased understanding of the impact of both bulk and surface chemistry on these properties. This review highlights selected work at the International Institute for Carbon-Neutral Energy Research (I2CNER, Kyushu University, set in the context of work in the broader community, aiming to characterize and understand relationships between bulk and surface composition and oxygen electrode performance. Insights into aspects of bulk point defect chemistry, electronic structure, crystal structure, and cation choice that impact carrier concentrations and mobilities, surface exchange kinetics, and chemical expansion coefficients are emerging. At the same time, an understanding of the relationship between bulk and surface chemistry is being developed that may assist design of electrodes with more robust surface chemistries, e.g., impurity tolerance or limited surface segregation. Ion scattering techniques (e.g., secondary ion mass spectrometry, SIMS, or low energy ion scattering spectroscopy, LEIS with high surface sensitivity and increasing lateral resolution are proving useful for measuring surface exchange kinetics, diffusivity, and corresponding outer monolayer chemistry of electrodes exposed to typical operating conditions. Beyond consideration of chemical composition, the use of strain and/or a high density of active interfaces also show promise for enhancing performance.

  18. Micromechanical and surface adhesive properties of single saccharomyces cerevisiae cells

    Science.gov (United States)

    Farzi, Bahman; Cetinkaya, Cetin

    2017-09-01

    The adhesion and mechanical properties of a biological cell (e.g. cell membrane elasticity and adhesiveness) are often strong indicators for the state of its health. Many existing techniques for determining mechanical properties of cells require direct physical contact with a single cell or a group of cells. Physical contact with the cell can trigger complex mechanotransduction mechanisms, leading to cellular responses, and consequently interfering with measurement accuracy. In the current work, based on ultrasonic excitation and interferometric (optical) motion detection, a non-contact method for characterizing the adhesion and mechanical properties of single cells is presented. It is experimentally demonstrated that the rocking (rigid body) motion and internal vibrational resonance frequencies of a single saccharomyces cerevisiae (SC) (baker’s yeast) cell can be acquired with the current approach, and the Young’s modulus and surface tension of the cell membrane as well as surface adhesion energy can be extracted from the values of these acquired resonance frequencies. The detected resonance frequency ranges for single SC cells include a rocking (rigid body) frequency of 330  ±  70 kHz and two breathing resonance frequencies of 1.53  ±  0.12 and 2.02  ±  0.31 MHz. Based on these values, the average work-of-adhesion of SC cells on a silicon substrate in aqueous medium is extracted, for the first time, as WASC-Si=16.2+/- 3.8 mJ {{m}-2} . Similarly, the surface tension and the Young’s modulus of the SC cell wall are predicted as {{σ }SC}=0.16+/- 0.02 N {{m}-1} and {{E}SC}= 9.20  ±  2.80 MPa, respectively. These results are compared to those reported in the literature by utilizing various methods, and good agreements are found. The current approach eliminates the measurement inaccuracies associated with the physical contact. Exciting and detecting cell dynamics at micro-second time-scales is significantly faster than the

  19. Response Surface Methodology and Aspen Plus Integration for the Simulation of the Catalytic Steam Reforming of Ethanol

    Directory of Open Access Journals (Sweden)

    Bernay Cifuentes

    2017-01-01

    Full Text Available The steam reforming of ethanol (SRE on a bimetallic RhPt/CeO2 catalyst was evaluated by the integration of Response Surface Methodology (RSM and Aspen Plus (version 9.0, Aspen Tech, Burlington, MA, USA, 2016. First, the effect of the Rh–Pt weight ratio (1:0, 3:1, 1:1, 1:3, and 0:1 on the performance of SRE on RhPt/CeO2 was assessed between 400 to 700 °C with a stoichiometric steam/ethanol molar ratio of 3. RSM enabled modeling of the system and identification of a maximum of 4.2 mol H2/mol EtOH (700 °C with the Rh0.4Pt0.4/CeO2 catalyst. The mathematical models were integrated into Aspen Plus through Excel in order to simulate a process involving SRE, H2 purification, and electricity production in a fuel cell (FC. An energy sensitivity analysis of the process was performed in Aspen Plus, and the information obtained was used to generate new response surfaces. The response surfaces demonstrated that an increase in H2 production requires more energy consumption in the steam reforming of ethanol. However, increasing H2 production rebounds in more energy production in the fuel cell, which increases the overall efficiency of the system. The minimum H2 yield needed to make the system energetically sustainable was identified as 1.2 mol H2/mol EtOH. According to the results of the integration of RSM models into Aspen Plus, the system using Rh0.4Pt0.4/CeO2 can produce a maximum net energy of 742 kJ/mol H2, of which 40% could be converted into electricity in the FC (297 kJ/mol H2 produced. The remaining energy can be recovered as heat.

  20. Synthesis and property of nanoparticles in ionic liquids and their surface modification

    Science.gov (United States)

    Wang, Yong

    This thesis describes synthesis and surface modifications of inorganic nanoparticles, including noble metal, metal oxide, and semiconductors. The first part explores synthesis of nanoparticles in 1-butyl-3-methylimidazolium bis(triflylmethyl-sulfonyl)imide ionic liquid ([BMIM][Tf2N] IL). When this IL was used as solvents in the non-hydrolytic synthesis, the growing nanoparticles underwent an auto-separation process, which would drive final products out of the IL reaction mixture during reactions. Highly uniform nanoparticles of metal oxides, noble metals, and CdSe semiconductor, could be obtained through this auto-separation approach. By controlling the composition of capping agents and reaction temperature, iron oxide nanoparticles of various shapes including cube, sphere, and rod, could be readily achieved. After the synthesis, the IL kept its good chemical and thermal stabilities, and could be recycled for the synthesis of nanoparticles. Monodispersed 10-nm iron oxide nanoparticles were repeatedly produced using recycled ILs. The biphasic mixture of ionic liquid and water also facilitated the formation of nanoparticles. In this method, hydrophobic IL was mixed with aqueous solutions of precursors and reductants under vigorous stir. The reactions were thought to take place inside water droplets or around the interfacial region between IL and water. The resultant metal nanoparticles were stabilized by ionic liquid and could be subsequently transferred into other media. Ionic liquids used in this process were also recycled and used repeatedly to obtain gold nanoparticles of controlled sizes and shapes. Platinum nanoparticles stabilized by IL were used as heterogeneous catalysts for the hydrogenation reaction of cyclohexene. This system kept its catalytic activity after several rounds of reactions. The outstanding thermal stability of [BMIM][Tf2N] IL was also utilized to obtain PtCo nanoparticles of different chemical compositions. Surface properties of hydrophobic

  1. Catalytic surface modification of roll-milled poly(ε-caprolactone) biaxially stretched to ultra-thin dimension

    International Nuclear Information System (INIS)

    Foo, H.L.; Taniguchi, A.; Yu, H.; Okano, T.; Teoh, S.H.

    2007-01-01

    A novel roll-milling polymer processing technique along with biaxial stretching was used to fabricate 10 μm thick poly(ε-caprolactone) films. A less invasive collagen surface modification was used, involving a reaction between corona-preactivated membranes and ferrous-containing acrylic acid solution at the low temperature of 42 o C. Successful modified films were characterized by Toluidine Blue O assay and X-ray photoelectron spectroscopy. Human umbilical vein endothelial cells also showed both higher proliferation rate and differentiated cobblestone morphology on these collagen-immobilized substrates

  2. Structure and optical properties of water covered Cu(110) surfaces

    International Nuclear Information System (INIS)

    Baghbanpourasl, A.

    2014-01-01

    In this thesis structural and optical properties of the water covered Cu(110) surface is studied using density functional theory within independent particle approximation. Several stable adsorption structures are studied such as water clusters (monomer, dimer, trimer, tetramer and pentamer), different hexagonal monolayers, partially dissociated water monolayers and three different types of chains among them a chain that consists of pentagon rings. For a copper surface in contact with water vapor, the energetically stable H 2 O/OH adsorbed structures are compared thermodynamically using adsorption free energy (change of free energy due to adsorption). Several phase diagrams with respect to temperature and pressure are calculated. It is found that among the large number of energetically stable structures (i.e. structures with positive adsorption energy ) only limited number of them are thermodynamically stable. These thermodynamically stable structures are the class of almost energetically degenerate hexagonal overlayers, one type of partially dissociated water structure that contains Bjerrum defect in the hydrogen bond network and pentagon chain. Since hydrogen atoms are light weight their vibrational effects can be considerable. Zero point vibration decreases the adsorption energy up to 0.1 eV and free energy of adsorbed molecules arising from vibrational degree of freedom can go up to -0.2 eV per adsorbed molecule at 500 Kelvin. However zero point energy and vibrational free energy of adsorbed molecules do not alter relative stability of the adsorbed structures. To account for the long range van der Waals interactions, a semi-empirical scheme is applied. Reflectance Anisotropy Spectroscopy (RAS) is a fast and non destructive optical method that can be used to prob the surface in different conditions such as vacuum and electro-chemical environment. Elasto-optic coeficients of bulk are calculated from first principles and the change of the RA spectrum of the bare Cu

  3. Urea-nitrate combustion synthesis of MgO/MgAl2O4 nanocatalyst used in biodiesel production from sunflower oil: Influence of fuel ratio on catalytic properties and performance

    International Nuclear Information System (INIS)

    Rahmani Vahid, Behgam; Haghighi, Mohammad

    2016-01-01

    Graphical abstract: As a base catalyst for biodiesel production, MgAl 2 O 4 spinel was successfully synthesized by combustion method with MgO, as the active phase, dispersed on the catalyst surface. The nanocatalysts were characterized by XRD, FESEM, EDX, BET-BJH, TGA and FTIR analyses, so as to optimize the concentration of urea (as fuel) in the combustion synthesis. Analyzing the effect of fuel ratio on the combustion synthesized MgAl 2 O 4 , it was revealed that the synthesized base catalyst with a fuel ratio of 1.5 was of the best specifications for biodiesel production process. Future researches may investigate the catalyst reusability and mild reaction conditions, so as to achieve more economical production of biodiesel. - Highlights: • Efficient synthesis of MgAl 2 O 4 spinel by solution combustion method. • Improvement of catalytic activity and stability by optimum ratio fuel. • Enhanced dispersion of MgO over MgAl 2 O 4 spinel. • Production of biodiesel over MgO/MgAl 2 O 4 at relatively mild reaction conditions. - Abstract: MgO/MgAl 2 O 4 nanocatalyst was synthesized by a simple, cost-effective and rapid method and used in biodiesel production from sunflower oil. MgAl 2 O 4 was synthesized by combustion method at different fuel ratios and then active phase of MgO was dispersed on the samples by impregnation method. The nanocatalysts were characterized by XRD, FESEM, EDX, BET-BJH, TGA and FTIR analyses, so as to optimize the concentration of urea (as fuel) in the combustion synthesis. The physicochemical properties of the nanocatalyst confirmed the sample synthesized with fuel ratio of 1.5 has high surface area, effective morphology and texture properties. Finally, in order to evaluate catalytic activity of the samples in biodiesel production, the transesterification reaction was performed. The results indicated the catalyst prepared by combustion synthesis with a fuel ratio of 1.5 was optimum specifications for biodiesel production. Using this

  4. Catalytic Properties of the Isolated Diaphorase Fragment of the NAD+-Reducing [NiFe]-Hydrogenase from Ralstonia eutropha

    Science.gov (United States)

    Lauterbach, Lars; Idris, Zulkifli; Vincent, Kylie A.; Lenz, Oliver

    2011-01-01

    The NAD+-reducing soluble hydrogenase (SH) from Ralstonia eutropha H16 catalyzes the H2-driven reduction of NAD+, as well as reverse electron transfer from NADH to H+, in the presence of O2. It comprises six subunits, HoxHYFUI2, and incorporates a [NiFe] H+/H2 cycling catalytic centre, two non-covalently bound flavin mononucleotide (FMN) groups and an iron-sulfur cluster relay for electron transfer. This study provides the first characterization of the diaphorase sub-complex made up of HoxF and HoxU. Sequence comparisons with the closely related peripheral subunits of Complex I in combination with UV/Vis spectroscopy and the quantification of the metal and FMN content revealed that HoxFU accommodates a [2Fe2S] cluster, FMN and a series of [4Fe4S] clusters. Protein film electrochemistry (PFE) experiments show clear electrocatalytic activity for both NAD+ reduction and NADH oxidation with minimal overpotential relative to the potential of the NAD+/NADH couple. Michaelis-Menten constants of 56 µM and 197 µM were determined for NADH and NAD+, respectively. Catalysis in both directions is product inhibited with K I values of around 0.2 mM. In PFE experiments, the electrocatalytic current was unaffected by O2, however in aerobic solution assays, a moderate superoxide production rate of 54 nmol per mg of protein was observed, meaning that the formation of reactive oxygen species (ROS) observed for the native SH can be attributed mainly to HoxFU. The results are discussed in terms of their implications for aerobic functioning of the SH and possible control mechanism for the direction of catalysis. PMID:22016788

  5. Influence of fuel properties, nitrogen oxides, and exhaust treatment by an oxidation catalytic converter on the mutagenicity of diesel engine emissions.

    Science.gov (United States)

    Bünger, Jürgen; Krahl, Jürgen; Weigel, Andreas; Schröder, Olaf; Brüning, Thomas; Müller, Michael; Hallier, Ernst; Westphal, Götz

    2006-08-01

    Particle emissions of diesel engines (DEP) content polycyclic aromatic hydrocarbons (PAH) these compounds cause a strong mutagenicity of solvent extracts of DEP. We investigated the influence of fuel properties, nitrogen oxides (NO( x )), and an oxidation catalytic converter (OCC) on the mutagenic effects of DEP. The engine was fuelled with common diesel fuel (DF), low-sulphur diesel fuel (LSDF), rapeseed oil methyl ester (RME), and soybean oil methyl ester (SME) and run at five different load modes in two series with and without installation of an OCC in the exhaust pipe. Particles from the cooled and diluted exhaust were sampled onto glass fibre filters and extracted with dichloromethane in a soxhlet apparatus. The mutagenicity of the extracts was tested using the Salmonella typhimurium/mammalian microsome assay with tester strains TA98 and TA100. Without OCC the number of revertant colonies was lower in extracts of LSDF than in extracts of DF. The lowest numbers of revertant colonies were induced by the plant oil derived fuels. In three load modes, operation with the OCC led to a reduction of the mutagenicity. However, direct mutagenic effects under heavy duty conditions (load mode A) were significantly increased for RME (TA98, TA100) and SME (TA98). A consistent but not significant increase in direct mutagenicity was observed for DF and LSDF at load mode A, and for DF at idling (load mode E) when emissions were treated with the OCC. These results raise concern over the use of oxidation catalytic converters with diesel engines. We hypothesise that the OCC increases formation of direct acting mutagens under certain conditions by the reaction of NO( x ) with PAH resulting in the formation of nitrated-PAH. Most of these compounds are powerful direct acting mutagens.

  6. Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Li Qiaoyun; Chen Dianyu; He Minghua [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Yang Gaowen, E-mail: ygwsx@126.com [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Shen Lei; Zhai Chun; Shen Wei; Gu Kun; Zhao Jingjing [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China)

    2012-06-15

    Reactions of 1H-tetrazolate-5-acetic acid(H{sub 2}tza) with Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O or Dy(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O with the presence of KOH under solvothermal conditions, produced two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)]. Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compounds 1 and 2 reveal 1D structures via bridging tza as linker. Furthermore, the compounds 1 and 2 showed a specific and good catalytic behavior for the polymerization of styrene, and the polymerization showed controlled characteristics. - Graphical Abstract: Two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)] have been synthesis. 1 and 2 reveal 1D structures via bridging tza as linker, and showed a specific and good catalytic behavior for the polymerization of styrene. Highlights: Black-Right-Pointing-Pointer we have reported two novel compounds formed by H{sub 2}tza and Nd(III) or Dy(III). Black-Right-Pointing-Pointer Compounds 1 and 2 were found to have catalysis property for the photo-polymerization of styrene. Black-Right-Pointing-Pointer The high molecular weight polymers with narrow molecular weight distributions were obtained.

  7. A decade of silicone hydrogel development: surface properties, mechanical properties, and ocular compatibility.

    Science.gov (United States)

    Tighe, Brian J

    2013-01-01

    Since the initial launch of silicone hydrogel lenses, there has been a considerable broadening in the range of available commercial material properties. The very mobile silicon-oxygen bonds convey distinctive surface and mechanical properties on silicone hydrogels, in which advantages of enhanced oxygen permeability, reduced protein deposition, and modest frictional interaction are balanced by increased lipid and elastic response. There are now some 15 silicone hydrogel material variants available to practitioners; arguably, the changes that have taken place have been strongly influenced by feedback based on clinical experience. Water content is one of the most influential properties, and the decade has seen a progressive rise from lotrafilcon-A (24%) to efrofilcon-A (74%). Moduli have decreased over the same period from 1.4 to 0.3 MPa, but not solely as a result of changes in water content. Surface properties do not correlate directly with water content, and ingenious approaches have been used to achieve desirable improvements (e.g., greater lubricity and lower contact angle hysteresis). This is demonstrated by comparing the hysteresis value of the earliest (lotrafilcon-A, >40°) and most recent (delefilcon-A, silicone hydrogels. Although wettability is important, it is not of itself a good predictor of ocular response because this involves a much wider range of physicochemical and biochemical factors. The interference of the lens with ocular dynamics is complex leading separately to tissue-material interactions involving anterior and posterior lens surfaces. The biochemical consequences of these interactions may hold the key to a greater understanding of ocular incompatibility and end of day discomfort.

  8. Surface and redox properties of cobalt–ceria binary oxides: On the effect of Co content and pretreatment conditions

    Energy Technology Data Exchange (ETDEWEB)

    Konsolakis, Michalis, E-mail: mkonsol@science.tuc.gr [School of Production Engineering and Management, Technical University of Crete, GR-73100, Chania, Crete (Greece); Sgourakis, Michalis [School of Production Engineering and Management, Technical University of Crete, GR-73100, Chania, Crete (Greece); Carabineiro, Sónia A.C. [Laboratório de Catálise e Materiais (LCM), Laboratório Associado LSRE/LCM, Faculdade de Engenharia, Universidade do Porto, 4200-465 Porto (Portugal)

    2015-06-30

    Graphical abstract: - Highlights: • Impact of Co content and pretreatment conditions on Co/CeO{sub 2} surface chemistry. • The improved reducibility of Co/CeO{sub 2} compared to single oxides is disclosed. • A synergistic effect between Co and Ce toward more oxygen vacancies is revealed. • Calcination procedure leads to the impoverishment of catalyst surface on cobalt. • Reduction results in a uniform distribution of Co and Ce on the catalyst surface. - Abstract: Ceria-based transition metal catalysts have recently received considerable attention both in heterogeneous catalysis and electro-catalysis fields, due to their unique physicochemical characteristics. Their catalytic performance is greatly affected by the surface local chemistry and oxygen vacancies. The present study aims at investigating the impact of Co/Ce ratio and pretreatment conditions on the surface and redox properties of cobalt–ceria binary oxides. Co–ceria mixed oxides with different Co content (0, 20, 30, 60, 100 wt.%) were prepared by impregnation method and characterized by means of N{sub 2} adsorption at −196 °C, X-ray diffraction (XRD), H{sub 2} temperature-programmed reduction (H{sub 2}-TPR) and X-ray photoelectron spectroscopy (XPS). The results shown the improved reducibility of Co/CeO{sub 2} mixed oxides compared to single oxides, due to a synergistic interaction between cobalt and cerium. Oxidation pretreatment results in a preferential localization of cerium species on the outer surface. In contrast, a uniform distribution of cobalt and cerium species over the entire catalyst surface is obtained by the reduction process, which facilitates the formation of oxygen vacancies though Co{sup 3+}/Co{sup 2+} and Ce{sup 3+}/Ce{sup 4+} redox cycles. Fundamental insights toward tuning the surface chemistry of cobalt–ceria binary oxides are provided, paving the way for real-life industrial applications.

  9. Effect of surface energy of solid surfaces on the micro- and macroscopic properties of adsorbed BSA and lysozyme.

    Science.gov (United States)

    Sharma, Indu; Pattanayek, Sudip K

    2017-07-01

    The surface energy, a macroscopic property, depends on the chemical functionality and micro- and macroscopic roughness of the surface. The adsorption of two widely used proteins bovine serum albumin (BSA) and lysozyme on surfaces of four different chemical functionalities were done to find out the interrelation between macroscopic and microscopic properties. We have observed the secondary structure of protein after its adsorption. In addition, we observed the variation of surface energy of proteins due to variation in adsorption time, change in protein concentration and effect of a mixture of proteins. Surfaces of three different chemical functionalities namely, amine, hydroxyl and octyl were obtained through self-assembled monolayer on silica surfaces and were tested for responses towards adsorption of lysozyme and BSA. The adsorbed lysozyme has higher surface energy than the adsorbed BSA on amine and octyl surfaces. On hydroxyl functional surface, the surface energy due to the adsorbed lysozyme or BSA increases slowly with time. The surface energy of the adsorbed protein increases gradually with increasing protein concentration on hydrophobic surfaces. On hydrophilic surfaces, with increasing BSA concentration in bulk solution, the surface energy of the adsorbed protein on GPTMS and amine surfaces is maximum at 1μM concentration. During the adsorption from a mixture of BSA and lysozyme on octyl surface, first lysozyme adsorbs and subsequent BSA adsorption leads to a high surface energy. Copyright © 2016. Published by Elsevier B.V.

  10. Adaptive Surface Modeling of Soil Properties in Complex Landforms

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-06-01

    Full Text Available Abstract: Spatial discontinuity often causes poor accuracy when a single model is used for the surface modeling of soil properties in complex geomorphic areas. Here we present a method for adaptive surface modeling of combined secondary variables to improve prediction accuracy during the interpolation of soil properties (ASM-SP. Using various secondary variables and multiple base interpolation models, ASM-SP was used to interpolate soil K+ in a typical complex geomorphic area (Qinghai Lake Basin, China. Five methods, including inverse distance weighting (IDW, ordinary kriging (OK, and OK combined with different secondary variables (e.g., OK-Landuse, OK-Geology, and OK-Soil, were used to validate the proposed method. The mean error (ME, mean absolute error (MAE, root mean square error (RMSE, mean relative error (MRE, and accuracy (AC were used as evaluation indicators. Results showed that: (1 The OK interpolation result is spatially smooth and has a weak bull's-eye effect, and the IDW has a stronger ‘bull’s-eye’ effect, relatively. They both have obvious deficiencies in depicting spatial variability of soil K+. (2 The methods incorporating combinations of different secondary variables (e.g., ASM-SP, OK-Landuse, OK-Geology, and OK-Soil were associated with lower estimation bias. Compared with IDW, OK, OK-Landuse, OK-Geology, and OK-Soil, the accuracy of ASM-SP increased by 13.63%, 10.85%, 9.98%, 8.32%, and 7.66%, respectively. Furthermore, ASM-SP was more stable, with lower MEs, MAEs, RMSEs, and MREs. (3 ASM-SP presents more details than others in the abrupt boundary, which can render the result consistent with the true secondary variables. In conclusion, ASM-SP can not only consider the nonlinear relationship between secondary variables and soil properties, but can also adaptively combine the advantages of multiple models, which contributes to making the spatial interpolation of soil K+ more reasonable.

  11. Catalytic interface erosion

    International Nuclear Information System (INIS)

    Meng, H.; Cohen, E.G.D.

    1995-01-01

    We study interface erosion processes: catalytic erosions. We present two cases. (1) The erosion of a completely occupied lattice by one single moving particle starting from somewhere inside the lattice, considering deterministic as well as probabilistic erosion rules. In the latter case, the eroded regions appear to have interfaces with continuously tunable fractal dimensions. (2) The kinetic roughening of an initially flat surface, where ballistic or diffusion-limited particles, which remain intact themselves, erode the surface coming from the outside, using the same erosion rules as in (1). Many features resembling realistic interfaces, for example, islands and inlets, are generated. The dependence of the surface width on the system size is due to both the erosion mechanism and the way particles move before reaching the surface

  12. Gas-phase synthesis and structure of monomeric ZnOH: a model species for metalloenzymes and catalytic surfaces.

    Science.gov (United States)

    Zack, Lindsay N; Sun, Ming; Bucchino, Matthew P; Clouthier, Dennis J; Ziurys, Lucy M

    2012-02-16

    Monomeric ZnOH has been studied for the first time using millimeter and microwave gas-phase spectroscopy. ZnOH is important in surface processes and at the active site of the enzyme carbonic anhydrase. In the millimeter-wave direct-absorption experiments, ZnOH was synthesized by reacting zinc vapor, produced in a Broida-type oven, with water. In the Fourier-transform microwave measurements, ZnOH was produced in a supersonic jet expansion of CH(3)OH and zinc vapor, created by laser ablation. Multiple rotational transitions of six ZnOH isotopologues in their X(2)A' ground states were measured over the frequency range of 22-482 GHz, and splittings due to fine and hyperfine structure were resolved. An asymmetric top pattern was observed in the spectra, showing that ZnOH is bent, indicative of covalent bonding. From these data, spectroscopic constants and an accurate structure were determined. The Zn-O bond length was found to be similar to that in carbonic anhydrase and other model enzyme systems.

  13. [State of Fungal Lipases of Rhizopus microsporus, Penicillium sp. and Oospora lactis in Border Layers Water-Solid Phase and Factors Affecting Catalytic Properties of Enzymes].

    Science.gov (United States)

    Khasanov, Kh T; Davranov, K; Rakhimov, M M

    2015-01-01

    We demonstrated that a change in the catalytic activity of fungal lipases synthesized by Rhizopus microsporus, Penicillium sp. and Oospora lactis and their ability to absorb on different sorbents depended on the nature of groups on the solid phase surface in the model systems water: lipid and water: solid phase. Thus, the stability of Penicillium sp. lipases increased 85% in the presence ofsorsilen or DEAE-cellulose, and 55% of their initial activity respectively was preserved. In the presence of silica gel and CM-cellulose, a decreased rate of lipid hydrolysis by Pseudomonas sp. enzymes was observed in water medium, and the hydrolysis rate increased by 2.4 and 1.5 times respectively in the presence of aminoaerosil and polykefamid. In an aqueous-alcohol medium, aminoaerosil and polykefamid decreased the rate of substrate hydrolysis by more than 30 times. The addition of aerosil to aqueous and aqueous-alcohol media resulted in an increase in the hydrolysis rate by 1.2-1.3 times. Sorsilen stabilized Penicillium sp. lipase activity at 40, 45, 50 and 55 degrees C. Either stabilization or inactivation of lipases was observed depending on the pH of the medium and the nature of chemical groups localized on the surface of solid phase. The synthetizing activity of lipases also changed depending on the conditions.

  14. From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

    DEFF Research Database (Denmark)

    Vojvodic, A.; Hellman, Anders; Ruberto, C.

    2009-01-01

    Adsorption and catalytic properties of the polar (111) surface of transition-metal carbides (TMC's) are investigated by density-functional theory. Atomic and molecular adsorption are rationalized with the concerted-coupling model, in which two types of TMC surface resonances (SR's) play key roles...

  15. Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

    Science.gov (United States)

    Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

    2018-03-07

    Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Designed cellulose nanocrystal surface properties for improving barrier properties in polylactide nanocomposites.

    Science.gov (United States)

    Espino-Pérez, Etzael; Bras, Julien; Almeida, Giana; Plessis, Cédric; Belgacem, Naceur; Perré, Patrick; Domenek, Sandra

    2018-03-01

    Nanocomposites are an opportunity to increase the performance of polymer membranes by fine-tuning their morphology. In particular, the understanding of the contribution of the polymer matrix/nanofiller interface to the overall transport properties is key to design membranes with tailored selective and adsorptive properties. In that aim, cellulose nanocrystals (CNC)/polylactide (PLA) nanocomposites were fabricated with chemically designed interfaces, which were ensuring the compatibility between the constituents and impacting the mass transport mechanism. A detailed analysis of the mass transport behaviour of different permeants in CNC/PLA nanocomposites was carried out as a function of their chemical affinity to grafted CNC surfaces. Penetrants (O 2 and cyclohexane), which were found to slightly interact with the constituents of the nanocomposites, provided information on the small tortuosity effect of CNC on diffusive mass transport. The mass transport of water (highly interacting with CNC) and anisole (interacting only with designed CNC surfaces) exhibited non-Fickian, Case II behaviour. The water vapour caused significant swelling of the CNC, which created a preferential pathway for mass transport. CNC surface grafting could attenuate this phenomenon and decrease the water transport rate. Anisole, an aromatic organic vapour, became reversibly trapped at the specifically designed CNC/PLA interface, but without any swelling or creation of an accelerated pathway. This caused the decrease of the overall mass transport rate. The latter finding could open a way to the creation of materials with specifically designed barrier properties by designing nanocomposites interfaces with specific interactions towards permeants. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. Co/ZnO and Ni/ZnO catalysts for hydrogen production by bioethanol steam reforming. Influence of ZnO support morphology on the catalytic properties of Co and Ni active phases

    Energy Technology Data Exchange (ETDEWEB)

    Da Costa-Serra, J.F.; Chica, A. [Instituto de Tecnolgia Quimica (UPV-CSIC), Universidad Politecnica de Valencia, Consejo Superior de Investigaciones Cientificas, Avenida de los naranjos s/n, 46022 Valencia (Spain); Guil-Lopez, R. [Instituto de Catalisis y Petroleoquimica, CSIC, Marie Curie 2, Cantoblanco, 28049 Madrid (Spain)

    2010-07-15

    Renewable hydrogen production from steam reforming of bioethanol is an interesting approach to produce sustainable hydrogen. However, simultaneous competitive reactions can occur, decreasing the hydrogen production yield. To overcome this problem, modifications in the steam reforming catalysts are being studied. Ni and Co active phases supported over modified ZnO have been widely studied in hydrogen production from steam reforming of bioethanol. However, the influence of the morphology and particle size of ZnO supports on the catalytic behaviour of the supported Ni and Co has not been reported. In the present work, we show how the morphology, shape, and size of ZnO support particles can control the impregnation process of the metal active centres, which manages the properties of active metallic particles. It has been found that nanorod particles of ZnO, obtained by calcination of Zn acetate, favour the metal-support interactions, decreasing the metallic particle sizes and avoiding metal (Co or Ni) sinterization during the calcination of metal precursors. Small metallic particle sizes lead to high values of active metal exposure surface, increasing the bioethanol conversion and hydrogen production. (author)

  18. The effect of catalyst preparation on catalytic activity. Final report, December 1, 1988--June 30, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, J.A.

    1992-12-01

    Three intrinsically connected phenomena occur during adsorption/impregnation of aqueous electrolytes onto oxide carriers. They are: pH-dependent development of surface carriers on the oxide; pH-dependent aqueous speciation of catalytic precursors; surface adsorption by complexation and coordination. Modeling of these processes yields basic thermodynamic properties of the adsorbed phase, which could provide useful information of the catalytic properties of the metal, support, and reveal metal-support interactions, thus contributing to design criteria for supported-metal catalysts. The spectrum of catalytic systems that can be studied using the above approach is greatly extended when both pure and composite oxide carriers are considered. This presentation will focus on three metal/support systems, each of which provides results of both practical and fundamental importance.

  19. Surface electromyography assessment of back muscle intrinsic properties.

    Science.gov (United States)

    Larivière, Christian; Arsenault, A Bertrand; Gravel, Denis; Gagnon, Denis; Loisel, Patrick

    2003-08-01

    The purpose of this study was to assess (1) the reliability and (2) the sensitivity to low back pain status and gender of different EMG indices developed for the assessment of back muscle weakness, muscle fiber composition and fatigability. Healthy subjects (men and women) and chronic low back pain patients (men only) performed, in a static dynamometer, maximal and submaximal static trunk extension tasks (short and long duration) to assess weakness, fiber composition and fatigue. Surface EMG signals were recorded from four (bilateral) pairs of back muscles and three pairs of abdominal muscles. To assess reliability of the different EMG parameters, 40 male volunteers (20 controls and 20 chronic low back pain patients) were assessed on three occasions. Reliable EMG indices were achieved for both healthy and chronic low back pain subjects when specific measurement strategies were applied. The EMG parameters used to quantify weakness and fiber composition were insensitive to low back status and gender. The EMG fatigue parameters did not detect differences between genders but unexpectedly, healthy men showed higher fatigability than back pain patients. This result was attributed to the smaller absolute load that was attributed to the patients, a load that was defined relative to their maximal strength, a problematic measure with this population. An attempt was made to predict maximal back strength from anthropometric measurements but this prediction was prone to errors. The main difficulties and some potential solutions related to the assessment of back muscle intrinsic properties were discussed.

  20. Tailoring Novel PTFE Surface Properties: Promoting Cell Adhesion and Antifouling Properties via a Wet Chemical Approach.

    Science.gov (United States)

    Gabriel, Matthias; Niederer, Kerstin; Becker, Marc; Raynaud, Christophe Michel; Vahl, Christian-Friedrich; Frey, Holger

    2016-05-18

    Many biomaterials used for tissue engineering applications lack cell-adhesiveness and, in addition, are prone to nonspecific adsorption of proteins. This is especially important for blood-contacting devices such as vascular grafts and valves where appropriate surface properties should inhibit the initial attachment of platelets and promote endothelial cell colonization. As a consequence, the long-term outcome of the implants would be improved and the need for anticoagulation therapy could be reduced or even abolished. Polytetrafluoroethylene (PTFE), a frequently used polymer for various medical applications, was wet-chemically activated and subsequently modified by grafting the endothelial cell (EC) specific peptide arginine-glutamic acid-aspartic acid-valine (REDV) using a bifunctional polyethylene glycol (PEG)-spacer (known to reduce platelet and nonspecific protein adhesion). Modified and control surfaces were both evaluated in terms of EC adhesion, colonization, and the attachment of platelets. In addition, samples underwent bacterial challenges. The results strongly suggested that PEG-mediated peptide immobilization renders PTFE an excellent substrate for cellular growth while simultaneously endowing the material with antifouling properties.

  1. The structure and properties of fluorite crystal surfaces

    OpenAIRE

    Tasker, P.

    1980-01-01

    The surface energies, tensions and structure of the (111) and (110) surfaces of CaF2, SrF2, BaF2 and UO2, ThO2, PrO2, PuO2, CeO2 have been calculated using an ionic shell model. The surface energies for the natural cleavage plane (111) are compared with the available experimental data and agree well. The surface tensions indicate a compressive stress in both surfaces. The surface structures show increasing relaxation with increasing ion size and the rumpling of the (110) surface indicates a q...

  2. Advanced anticorrosive coatings prepared from electroactive polyimide/graphene nanocomposites with synergistic effects of redox catalytic capability and gas barrier properties

    Directory of Open Access Journals (Sweden)

    J. M. Yeh

    2014-04-01

    Full Text Available In this study, electroactive polyimide (EPI/graphene nanocomposite (EPGN coatings were prepared by thermal imidization and then characterized by Fourier transformation infrared (FTIR and transmission electron microscope (TEM. The redox behavior of the as-prepared EPGN materials was identified by in situ monitoring for cyclic voltammetry (CV studies. Demonstrating that EPGN coatings provided advanced corrosion protection of cold-rolled steel (CRS electrodes as compared to that of neat EPI coating. The superior corrosion protection of EPGN coatings over EPI coatings on CRS electrodes could be explained by the following two reasons. First, the redox catalytic capabilities of amino-capped aniline trimer (ACAT units existing in the EPGN may induce the formation of passive metal oxide layers on the CRS electrode, as indicated by scanning electron microscope (SEM and electron spectroscopy for chemical analysis (ESCA studies. Moreover, the well-dispersed carboxyl-graphene nanosheets embedded in the EPGN matrix hinder gas migration exponentially. This would explain enhanced oxygen barrier properties of EPGN, as indicated by gas permeability analysis (GPA studies.

  3. New palladium–oxazoline complexes: Synthesis and evaluation of the optical properties and the catalytic power during the oxidation of textile dyes

    Directory of Open Access Journals (Sweden)

    Rym Hassani

    2015-07-01

    Full Text Available The present paper describes the synthesis of new palladium–oxazoline complexes in one step with good to high yields (68–95%. The oxazolines were prepared from enantiomerically pure α-aminoalcohols. The structures of the synthesized palladium complexes were confirmed by NMR, FTIR, TOFMS, UV–visible spectroscopic analysis and X–ray diffraction. The optical properties of the complexes were evaluated by the determination of the gap energy values (Eg ranging between 2.34 and 3.21 eV. Their catalytic activities were tested for the degradation of Eriochrome Blue Black B (a model of azo dyes in the presence of an ecological oxidant (H2O2. The efficiency of the decolorization has been confirmed via UV–visible spectroscopic analysis and the factors affecting the degradation phenomenon have been studied. The removal of the Eriochrome reached high yields. We have found that the complex 9 promoted 84% of color elimination within 5 min (C0 = 30 mg/L, T = 22 °C, pH 7, H2O2 = 0.5 mL and the energetic parameters have been also determined.

  4. Rhodium, iridium and nickel complexes with a 1,3,5-triphenylbenzene tris-MIC ligand. Study of the electronic properties and catalytic activities

    Directory of Open Access Journals (Sweden)

    Carmen Mejuto

    2015-12-01

    Full Text Available The coordination versatility of a 1,3,5-triphenylbenzene-tris-mesoionic carbene ligand is illustrated by the preparation of complexes with three different metals: rhodium, iridium and nickel. The rhodium and iridium complexes contained the [MCl(COD] fragments, while the nickel compound contained [NiCpCl]. The preparation of the tris-MIC (MIC = mesoionic carbene complex with three [IrCl(CO2] fragments, allowed the estimation of the Tolman electronic parameter (TEP for the ligand, which was compared with the TEP value for a related 1,3,5-triphenylbenzene-tris-NHC ligand. The electronic properties of the tris-MIC ligand were studied by cyclic voltammetry measurements. In all cases, the tris-MIC ligand showed a stronger electron-donating character than the corresponding NHC-based ligands. The catalytic activity of the tri-rhodium complex was tested in the addition reaction of arylboronic acids to α,β-unsaturated ketones.

  5. Structural and Redox Properties of Vanadium Complexes in Molten Salts of Interest for the Catalytic Oxidation of Sulfur Dioxide

    DEFF Research Database (Denmark)

    Boghosian, S.; Chrissanthopoulos, A.; Fehrmann, Rasmus

    2000-01-01

    and vibrational properties of the vanadium complexes formed in the molten salt-gas system V2O5-M2S2O7-M2SO4/SO2-O-2 (M = K or Cs). The spectral features and the exploitation of the relative Raman intensities indicate that the (VO)(2)O(SO4)(4)(+) dimeric complex unit which possesses a V-O-V bridge is formed...... in the V2O5-M2S2O7 molten mixtures. Interaction with SO2 or addition of sulfate leads to cleavage of the V-O-V bridge and formation of the (VO)-O-IV(SO4)(2)(2-) or (VO2)-O-V(SO4)(2)(3-) complex units respectively. The most prominent Raman bands due to the V-V and V-IV complexes formed are assigned...

  6. Synthesis of LaNiO{sub 3} perovskite by the modified proteic gel method and study of catalytic properties in the syngas production

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Jose C.; Mesquita, Maria E.; Pedrosa, Anne M. Garrido, E-mail: annemgp@ufs.br, E-mail: annemgp@yahoo.com [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Departamento de Quimica e Engenharia Quimica; Souza, Marcelo J.B. [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Departamento de Engenharia Quimica; Ruiz, Juan A.C. [Centro de Tecnologias do Gas e Energias Renovaveis (CTGAS-ER), Natal, RN (Brazil). Laboratorio de Processamento do Gas; Melo, Dulce M.A. [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Centro de Ciencias Exatas e da Terra. Depaertamento de Quimica

    2012-10-15

    This work describes a study on the synthesis of LaNiO{sub 3} perovskites via the modified proteic gel method, varying collagen content and on the catalytic activity of LaNiO{sub 3} and LaNiO{sub 3}/Al{sub 2}O{sub 3} in the syngas (CO + H{sub 2}) production. X-ray diffraction patterns revealed the formation of perovskite structure in all samples prepared by proteic gel synthesis method, varying collagen content and after calcination at 700 deg C for 2 h. LaNiO{sub 3}/Al{sub 2}O{sub 3} catalyst prepared by the impregnation method showed diffraction peaks due to the perovskite structure and to the support (Al{sub 2}O{sub 3}). This catalyst presented: specific surface of 46.1 m{sup 2} g{sup -1}, two reduction peaks in the temperature programmed reduction (TPR) profile and 46% of methane conversion (by the partial oxidation of methane using oxygen) after 18 h of reaction. (author)

  7. Investigation of surface properties of physico-chemically modified natural fibres using inverse gas chromatography

    CSIR Research Space (South Africa)

    Cordeiro, N

    2011-01-01

    Full Text Available Inverse gas chromatography (IGC) is a suitable method to determine surface energy of natural fibres when compared to wetting techniques. In the present study, the surface properties of raw and modified lignocellulosic fibres have been investigated...

  8. Model of coordination melting of crystals and anisotropy of physical and chemical properties of the surface

    Science.gov (United States)

    Bokarev, Valery P.; Krasnikov, Gennady Ya

    2018-02-01

    Based on the evaluation of the properties of crystals, such as surface energy and its anisotropy, the surface melting temperature, the anisotropy of the work function of the electron, and the anisotropy of adsorption, were shown the advantages of the model of coordination melting (MCM) in calculating the surface properties of crystals. The model of coordination melting makes it possible to calculate with an acceptable accuracy the specific surface energy of the crystals, the anisotropy of the surface energy, the habit of the natural crystals, the temperature of surface melting of the crystal, the anisotropy of the electron work function and the anisotropy of the adhesive properties of single-crystal surfaces. The advantage of our model is the simplicity of evaluating the surface properties of the crystal based on the data given in the reference literature. In this case, there is no need for a complex mathematical tool, which is used in calculations using quantum chemistry or modeling by molecular dynamics.

  9. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    INTRODUCTION: (1) Nanomodification of semicrystalline polymers -- unequalled thermal, mechanical and surface properties at low volume fractions that cannot be obtained using conventional fillers; (2...

  10. Determination of Mechanical and Surface Properties of Semicrystalline Polyhedral Oligomeric Silsequioxane (POSS) Nanocomposites

    National Research Council Canada - National Science Library

    Moody, Laura E; Marchant, Darrell; Grabow, Wade W; Lee, Andre Y; Mabry, Joseph M

    2005-01-01

    .... This study examines the ability of POSS to improve the mechanical and surface properties of three semicrystalline polymers, fluorinated ethylene-propylene (FEP), poly(vinylidene fluoride) (PVDF...

  11. Geotechnical properties of surface sediments in the INDEX area

    Digital Repository Service at National Institute of Oceanography (India)

    Khadge, N.H.

    As a part of the environmental impact assessment studies, geotechnical properties of sediments were determined in the Central Indian Basin. The undrained shear strength and index properties of the siliceous sediments were determined on 20 box cores...

  12. Oxygen vacancies enabled enhancement of catalytic property of Al reduced anatase TiO{sub 2} in the decomposition of high concentration ozone

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yanhua; Zhang, Xiaolei [Shanghai Institute of Technology, Shanghai 200235 (China); Chen, Li [East China Normal University, Shanghai 200062 (China); Wang, Xiaorui [Shanghai Institute of Technology, Shanghai 200235 (China); Zhang, Na, E-mail: nzhang@sit.edu.cn [Shanghai Institute of Technology, Shanghai 200235 (China); Liu, Yufeng [Shanghai Institute of Technology, Shanghai 200235 (China); Fang, Yongzheng, E-mail: fyz1003@sina.com [Shanghai Institute of Technology, Shanghai 200235 (China)

    2017-06-15

    The catalytic decomposition of gaseous ozone (O{sub 3}) is investigated using anatase TiO{sub 2} (A-TiO{sub 2}) and Aluminum-reduced A-TiO{sub 2} (ARA-TiO{sub 2}) at high concentration and high relative humidity (RH) without light illumination. Compared with the pristine A-TiO{sub 2}, the ARA-TiO{sub 2} sample possesses a unique crystalline core-amorphous shell structure. It is proved to be an excellent solar energy “capture” for solar thermal collectors due to lots of oxygen vacancies. The results indicate that the overall decomposition efficiency of O{sub 3} without any light irradiation has been greatly improved from 4.8% on A-TiO{sub 2} to 100% on ARA-TiO{sub 2} under the RH=100% condition. The ozone conversion over T500/ARA-TiO{sub 2} catalyst is still maintained at 95% after a 72 h test under the reaction condition of 18.5 g/m{sup 3} ozone initial concentration, and RH=90%. The results can be explained that T500/ARA-TiO{sub 2} possesses the largest amorphous contour, the lowest crystallinity, the most surface-active Ti{sup 3+}/T{sup i4+}couples, and the most oxygen vacancies. This result opens a new door to widen the application of TiO{sub 2} in the thermal-catalytic field. - Graphical abstract: The anatase-TiO{sub 2} with various oxidation states and oxygen vacancies have been obtained by aluminum-reduction, and the decomposition efficiency of O{sub 3} has been greatly improved from 4.8% to 100% without irradiation under the RH=100% condition. - Highlights: • The decomposition of gaseous ozone over Al reduced TiO2 (ARA-TiO{sub 2}) is firstly reported. • The decomposition efficiency is up to 100% without any light irradiation on ARA-TiO{sub 2} under RH=100% condition. • The ozone conversion is maintained at 95% after a 72 h test, when C{sub inlet}=18.5 g/m{sup 3} and RH=90%.

  13. [Catalytical properties of Arthrobacter nicotianae cells, a producer of glucose isomerase, immobilized in xerogel of silicium dioxide].

    Science.gov (United States)

    Perminova, L V; Kovalenko, G A; Rudina, N A; Sapunova, L I; Tamkovich, I O; Lobanok, A G

    2009-01-01

    Arthrobacter nicotinanae cells, producers of glucose isomerase, were immobilized in xerogel of silicium dioxide, and properties of the resulted heterogeneous biocatalysts were investigated in the process of isomerization of monosaccharide (glucose and fructose). The glucose isomerase activity of the resulted biocatalysts was shown to be 10 U/g, on average, taking into account the loss of the activity upon the immobilization, which amounted to 50% of the cell activity in suspension. The rate of the fructose isomerization increased linearly in the range of 55-80 degrees C with the temperature coefficient 1.3. The biocatalysts were stable in this range; they were rapidly inactivated, however, at increasing temperature. The half-inactivation time was six to seven h and five min or less at 80 degrees C and 85 degrees C, respectively. The half-inactivation time of heterogeneous biocatalysts was 50-90 h in the periodic process of isomerization of 2 M monosaccharides at 60 degrees C in the presence of the immobilized Arthrobacter nicotinanae cells.

  14. Sonochemically preparation and characterization of bimetallic Ni-Co/Al2O3-ZrO2 nanocatalyst: Effects of ultrasound irradiation time and power on catalytic properties and activity in dry reforming of CH4.

    Science.gov (United States)

    Mahboob, Salar; Haghighi, Mohammad; Rahmani, Farhad

    2017-09-01

    The catalytic performance of nanostructured Ni-Co/Al 2 O 3 -ZrO 2 catalysts, prepared by ultrasound-assisted impregnation method was examined in the dry reforming of methane. The effect of irradiation power and irradiation time have been studied by changing time (0, 20, 80min) and power of the sonication (30, 60, 90W) during the synthesis which resulted in different physiochemical properties of the nanocatalyst. The nanocatalysts were characterized by XRD, FESEM, PSD, EDX, TEM, TPR-H 2 , BET, FTIR and TG analyses. Based on the characterization results, ultrasound treatment endowed the sample with more uniform and smaller nanoparticles; higher surface area, stronger metal-support interaction and more homogenous dispersion. Moreover, the analyses exhibited smaller particles with higher surface area and less population of particle aggregates at longer and highly irradiated nanocatalysts. The nanocatalyst irradiated at 90W for 80min (the longest irradiation time and the most intense power) showed a uniform morphology and a very narrow particles size distribution. More than 65% of particles of this nanocatalyst were in the range of 10-30nm. Activity tests demonstrated that employing ultrasound irradiation during impregnation improves feed conversion and products yield, reaching values close to equilibrium. Among sonicated nanocatalysts, with increasing power and time of irradiation, the nanocatalyst represents higher activity. The superior performance amongst the various bimetallic catalysts tested was observed over the catalyst with 90W and 80min ultrasonic irradiation which is stable in 24h time on stream test. The excellent anti-coking performance of this bimetallic catalyst, confirmed by TG and FESEM analyses of spent catalyst, is closely related to the promoting effect of sonication on the metal-support interaction, Ni dispersion and particle size; and probably, the synergy between metallic species. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. An automated flow for directed evolution based on detection of promiscuous scaffolds using spatial and electrostatic properties of catalytic residues.

    Directory of Open Access Journals (Sweden)

    Sandeep Chakraborty

    Full Text Available The aspiration to mimic and accelerate natural evolution has fueled interest in directed evolution experiments, which endow or enhance functionality in enzymes. Barring a few de novo approaches, most methods take a template protein having the desired activity, known active site residues and structure, and proceed to select a target protein which has a pre-existing scaffold congruent to the template motif. Previously, we have established a computational method (CLASP based on spatial and electrostatic properties to detect active sites, and a method to quantify promiscuity in proteins. We exploit the prospect of promiscuous active sites to serve as the starting point for directed evolution and present a method to select a target protein which possesses a significant partial match with the template scaffold (DECAAF. A library of partial motifs, constructed from the active site residues of the template protein, is used to rank a set of target proteins based on maximal significant matches with the partial motifs, and cull out the best candidate from the reduced set as the target protein. Considering the scenario where this 'incubator' protein lacks activity, we identify mutations in the target protein that will mirror the template motif by superimposing the target and template protein based on the partial match. Using this superimposition technique, we analyzed the less than expected gain of activity achieved by an attempt to induce β-lactamase activity in a penicillin binding protein (PBP (PBP-A from T. elongatus, and attributed this to steric hindrance from neighboring residues. We also propose mutations in PBP-5 from E. coli, which does not have similar steric constraints. The flow details have been worked out in an example which aims to select a substitute protein for human neutrophil elastase, preferably related to grapevines, in a chimeric anti-microbial enzyme which bolsters the innate immune defense system of grapevines.

  16. Modeling the Acid-Base Properties of Montmorillonite Edge Surfaces.

    Science.gov (United States)

    Tournassat, Christophe; Davis, James A; Chiaberge, Christophe; Grangeon, Sylvain; Bourg, Ian C

    2016-12-20

    The surface reactivity of clay minerals remains challenging to characterize because of a duality of adsorption surfaces and mechanisms that does not exist in the case of simple oxide surfaces: edge surfaces of clay minerals have a variable proton surface charge arising from hydroxyl functional groups, whereas basal surfaces have a permanent negative charge arising from isomorphic substitutions. Hence, the relationship between surface charge and surface potential on edge surfaces cannot be described using the Gouy-Chapman relation, because of a spillover of negative electrostatic potential from the basal surface onto the edge surface. While surface complexation models can be modified to account for these features, a predictive fit of experimental data was not possible until recently, because of uncertainty regarding the densities and intrinsic pK a values of edge functional groups. Here, we reexamine this problem in light of new knowledge on intrinsic pK a values obtained over the past decade using ab initio molecular dynamics simulations, and we propose a new formalism to describe edge functional groups. Our simulation results yield reasonable predictions of the best available experimental acid-base titration data.

  17. Direct observation of enhanced plasmon-driven catalytic reaction activity of Au nanoparticles supported on reduced graphene oxides by SERS.

    Science.gov (United States)

    Liang, Xiu; You, Tingting; Liu, Dapeng; Lang, Xiufeng; Tan, Enzhong; Shi, Jihua; Yin, Penggang; Guo, Lin

    2015-04-21

    Graphene-based nanocomposites have recently attracted tremendous research interest in the field of catalysis due to their unique optical and electronic properties. However, direct observation of enhanced plasmon-driven catalytic activity of Au nanoparticles (NPs) supported on reduced graphene oxides (Au/rGO) has rarely been reported. Herein, based on the reduction from 4-nitrobenzenethiol (4-NBT) to p,p'-dimercaptoazobenzene (DMAB), the catalytic property of Au/rGO nanocomposites was investigated and compared with corresponding Au NP samples with similar size distribution. Our results show that Au/rGO nanocomposites could serve as a good catalytic and analytic platform for plasmon-driven chemical reactions. In addition, systematic comparisons were conducted during power- and time-dependent surface-enhanced Raman scattering (SERS) experiments, which exhibited a lower power threshold and higher catalytic efficiency for Au/rGO as compared to Au NPs toward the reaction.

  18. Properties that influence the specific surface areas of carbon nanotubes and nanofibers.

    Science.gov (United States)

    Birch, M Eileen; Ruda-Eberenz, Toni A; Chai, Ming; Andrews, Ronnee; Hatfield, Randal L

    2013-11-01

    Commercially available carbon nanotubes and nanofibers were analyzed to examine possible relationships between their Brunauer-Emmett-Teller specific surface areas (SSAs) and their physical and chemical properties. Properties found to influence surface area were number of walls/diameter, impurities, and surface functionalization with hydroxyl and carboxyl groups. Characterization by electron microscopy, energy-dispersive X-ray spectrometry, thermogravimetric analysis, and elemental analysis indicates that SSA can provide insight on carbon nanomaterials properties, which can differ vastly depending on synthesis parameters and post-production treatments. In this study, how different properties may influence surface area is discussed. The materials examined have a wide range of surface areas. The measured surface areas differed from product specifications, to varying degrees, and between similar products. Findings emphasize the multiple factors that influence surface area and mark its utility in carbon nanomaterial characterization, a prerequisite to understanding their potential applications and toxicities. Implications for occupational monitoring are discussed.

  19. Surface modification, microstructure and mechanical properties of investment cast superalloy

    OpenAIRE

    M. Zielińska; K. Kubiak; J. Sieniawski

    2009-01-01

    Purpose: The aim of this work is to determine physical and chemical properties of cobalt aluminate (CoAl2O4) modifiers produced by different companies and the influence of different types of modifiers on the grain size, the microstructure and mechanical properties of high temperature creep resisting superalloy René 77.Design/methodology/approach: The first stage of the research work took over the investigations of physical and chemical properties of cobalt aluminate manufactured by three diff...

  20. Surface properties of adsorption layers formed from triterpenoid and steroid saponins

    NARCIS (Netherlands)

    Pagureva, N.; Tcholakova, S.; Golemanov, K.; Denkov, N.; Pelan, E.; Stoyanov, S.D.

    2016-01-01

    Saponins are natural surfactants with non-trivial surface and aggregation properties which find numerous important applications in several areas (food, pharma, cosmetic and others). In the current paper we study the surface properties of ten saponin extracts, having different molecular structure

  1. Effect of nanocoating with rhamnogalacturonan-I on surface properties and osteoblasts response

    DEFF Research Database (Denmark)

    Gurzawska, Katarzyna Aleksandra; Svava, Rikke; Syberg, Susanne

    2012-01-01

    -I) on surface properties and osteoblasts response. Three different RG-Is from apple and lupin pectins were modified and coated on amino-functionalized tissue culture polystyrene plates (aminated TCPS). Surface properties were evaluated by scanning electron microscopy, contact angle measurement, atomic force...

  2. Unraveling the size distributions of surface properties for purple soil and yellow soil.

    Science.gov (United States)

    Tang, Ying; Li, Hang; Liu, Xinmin; Zhu, Hualing; Tian, Rui

    2015-06-01

    Soils contain diverse colloidal particles whose properties are pertinent to ecological and human health, whereas few investigations systematically analyze the surface properties of these particles. The objective of this study was to elucidate the surface properties of particles within targeted size ranges (i.e. >10, 1-10, 0.5-1, 0.2-0.5 and soil (Entisol) and a yellow soil (Ultisol) using the combined determination method. The mineralogy of corresponding particle-size fractions was determined by X-ray diffraction. We found that up to 80% of the specific surface area and 85% of the surface charge of the entire soil came from colloidal-sized particles (soil had a larger specific surface area, stronger electrostatic field, and higher surface charge than the yellow soil due to differences in mineralogy. Likewise, the differences in surface properties among the various particle-size fractions can also be ascribed to mineralogy. Our results indicated that soil surface properties were essentially determined by the colloidal-sized particles, and the soil properties. The composition of clay minerals within the diverse particle-size fractions could fully explain the size distributions of surface properties. Copyright © 2015. Published by Elsevier B.V.

  3. A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure.

    Science.gov (United States)

    Fukuda, Yudai; Sone, Takeki; Sakuraba, Haruhiko; Araki, Tomohiro; Ohshima, Toshihisa; Shibata, Takeshi; Yoneda, Kazunari

    2015-10-01

    A gene encoding a functionally unknown protein that is specifically expressed in the thyroidectomized chicken fatty liver and has a predicted amino acid sequence similar to that of NAD(P)H-dependent carbonyl reductase was overexpressed in Escherichia coli; its product was purified and characterized. The expressed enzyme was an NAD(P)H-dependent broad substrate specificity carbonyl reductase and was inhibited by arachidonic acid at 1.5 μm. Enzymological characterization indicated that the enzyme could be classified as a cytosolic-type carbonyl reductase. The enzyme's 3D structure was determined using the molecular replacement method at 1.98 Å resolution in the presence of NADPH and ethylene glycol. The asymmetric unit consisted of two subunits, and a noncrystallographic twofold axis generated the functional dimer. The structures of the subunits, A and B, differed from each other. In subunit A, the active site contained an ethylene glycol molecule absent in subunit B. Consequently, Tyr172 in subunit A rotated by 103.7° in comparison with subunit B, which leads to active site closure in subunit A. In Y172A mutant, the Km value for 9,10-phenanthrenequinone (model substrate) was 12.5 times higher than that for the wild-type enzyme, indicating that Tyr172 plays a key role in substrate binding in this carbonyl reductase. Because the Tyr172-containing active site lid structure (Ile164-Gln174) is not conserved in all known carbonyl reductases, our results provide new insights into substrate binding of carbonyl reductase. The catalytic properties and crystal structure revealed that thyroidectomized chicken fatty liver carbonyl reductase is a novel enzyme. © 2015 FEBS.

  4. Automated Surface Classification of SRF Cavities for the Investigation of the Influence of Surface Properties onto the Operational Performance

    International Nuclear Information System (INIS)

    Wenskat, Marc

    2015-07-01

    Superconducting niobium radio-frequency cavities are fundamental for the European XFEL and the International Linear Collider. To use the operational advantages of superconducting cavities, the inner surface has to fulfill quite demanding requirements. The surface roughness and cleanliness improved over the last decades and with them, the achieved maximal accelerating field. Still, limitations of the maximal achieved accelerating field are observed, which are not explained by localized geometrical defects or impurities. The scope of this thesis is a better understanding of these limitations in defect free cavities based on global, rather than local, surface properties. For this goal, more than 30 cavities underwent subsequent surface treatments, cold RF tests and optical inspections within the ILC-HiGrade research program and the XFEL cavity production. An algorithm was developed which allows an automated surface characterization based on an optical inspection robot. This algorithm delivers a set of optical surface properties, which describes the inner cavity surface. These optical surface properties deliver a framework for a quality assurance of the fabrication procedures. Furthermore, they shows promising results for a better understanding of the observed limitations in defect free cavities.

  5. [Surface Property and Sorption Characteristics of Phosphorus onto Surface Sediments in Sanggou Bay].

    Science.gov (United States)

    Zhu, Jia-mei; Cao, Xiao-yan; Liu, Su-mei; Wang, Li-sha; Yang, Gui-peng; Ge, Cheng-feng; Lu, Min

    2016-02-15

    Kinetic curves and isotherms were investigated to study the sorption mechanism of phosphorus onto the sediments of Sanggou Bay, together with the surface charge properties of sediments and the forms of phosphorus studied. The results showed that the sorption including a fast process and a slow one, and could be described by a two-compartment first order equation. The thermodynamic isotherms were well fitted with a modified Langmuir equation. The maximum adsorption capacity was larger in summer than in spring, and the smaller particle size was favorable to the sorption. The maximum adsorption capacities (Qm) were 0.0471-0.1230 mg x g(-1), and the zero equilibrium phosphorus concentration (EPC0) of the sediments ranged from 0.0596 mg x L(-1) to 0.1927 mg x L(-1), which indicated that the sediments from Sanggou Bay were sources of phosphorus. Inorganic phosphorus (IP) was the main form of total phosphorus (TP). The contents of exchangeable or loosely absorbed P and Fe-bound P increased significantly in the samples after sorption. The sorption process involved physical sorption and chemical sorption, with the former being the predominant.

  6. Synthesis, surface characterization and optical properties of 3 ...

    Indian Academy of Sciences (India)

    3-Thiopropionic acid (TPA) capped ZnS:Cu nanocrystals have been successfully synthesized by simple aqueous method. Powder X-ray diffraction (XRD) studies revealed the particle size to be 4.2 nm. Surface characterization of the nanocrystals by FTIR spectroscopy has been done and the structure for surface bound TPA ...

  7. Synthesis, surface characterization and optical properties of 3

    Indian Academy of Sciences (India)

    3-Thiopropionic acid (TPA) capped ZnS:Cu nanocrystals have been successfully synthesized by simple aqueous method. Powder X-ray diffraction (XRD) studies revealed the particle size to be 4.2 nm. Surface characterization of the nanocrystals by FTIR spectroscopy has been done and the structure for surface bound TPA ...

  8. Dynamic surface properties of poly(methylalkyldiallylammonium chloride) solutions

    Czech Academy of Sciences Publication Activity Database

    Novikova, A. A.; Vlasov, P. S.; Lin, S.-Y.; Sedláková, Zdeňka; Noskov, B. A.

    2017-01-01

    Roč. 80, November (2017), s. 122-127 ISSN 1876-1070 Institutional support: RVO:61389013 Keywords : polymer solutions * dynamic surface tension * dilational surface rheology Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.217, year: 2016

  9. An instrument for the measurement of road surface reflection properties

    DEFF Research Database (Denmark)

    Corell, Dennis Dan; Sørensen, K.

    2017-01-01

    surfaces in use have changed - for instance to road surface types with less noise from wheel passages. Because of this, a co-operation between the road administrations of the Nordic countries (abbreviated NMF) decided to construct a portable instrument to be used on selections of traffic roads within...

  10. Manipulation of fluids in three-dimensional porous photonic structures with patterned surface properties

    Energy Technology Data Exchange (ETDEWEB)

    Aizenberg, Joanna; Burgess, Ian; Mishchenko, Lidiya; Hatton, Benjamin; Loncar, Marko

    2017-12-26

    A three-dimensional porous photonic structure, whose internal pore surfaces can be provided with desired surface properties in a spatially selective manner with arbitrary patterns, and methods for making the same are described. When exposed to a fluid (e.g., via immersion or wicking), the fluid can selectively penetrate the regions of the structure with compatible surface properties. Broad applications, for example in security, encryption and document authentication, as well as in areas such as simple microfluidics and diagnostics, are anticipated.

  11. Effect of Phosphine Doping and the Surface Metal State of Ni on the Catalytic Performance of Ni/Al2O3 Catalyst

    Directory of Open Access Journals (Sweden)

    Xiaoru Li

    2015-04-01

    Full Text Available Ni-based catalysts as replacement for noble metal catalysts are of particular interest in the catalytic conversion of biomass due to their cheap and satisfactory catalytic activity. The Ni/SiO2 catalyst has been studied for the hydrogenolysis of glycerol, and doping with phosphorus (P found to improve the catalytic performance significantly because of the formation of Ni2P alloys. However, in the present work we disclose a different catalytic phenomenon for the P-doped Ni/Al2O3 catalyst. We found that doping with P has a significant effect on the state of the active Ni species, and thus improves the selectivity to 1,2-propanediol (1,2-PDO significantly in the hydrogenolysis of glycerol, although Ni-P alloys were not observed in our catalytic system. The structure and selectivity correlations were determined from the experimental data, combining the results of X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, hydrogen temperature-programmed reduction (H2-TPR and ammonia temperature-programmed desorption (NH3-TPD. The presence of NiO species, formed from P-doped Ni/Al2O3 catalyst, was shown to benefit the formation of 1,2-PDO. This was supported by the results of the Ni/Al2O3 catalyst containing NiO species with incomplete reduction. Furthermore, the role the NiO species played in the reaction and the potential reaction mechanism over the P-doped Ni/Al2O3 catalyst is discussed. The new findings in the present work open a new vision for Ni catalysis and will benefit researchers in designing Ni-based catalysts.

  12. Trends in the chemical properties in early transition metal carbide surfaces: A density functional study

    DEFF Research Database (Denmark)

    Kitchin, J.R.; Nørskov, Jens Kehlet; Barteau, M.A.

    2005-01-01

    In this paper we present density functional theory (DFT) investigations of the physical, chemical and electronic structure properties of several close-packed surfaces of early transition metal carbides, including beta-Mo2C(0 0 0 1), and the (1 1 1) surfaces of TiC, VC, NbC, and TaC. The results...... are in excellent agreement with experimental values of lattice constants and bulk moduli. The adsorption of atomic hydrogen is used as a probe to compare the chemical properties of various carbide surfaces. Hydrogen adsorbs more strongly to the metal-terminated carbide surfaces than to the corresponding closest......-packed pure metal surfaces, due to the tensile strain induced in the carbide surfaces upon incorporation of carbon into the lattice. Hydrogen atoms were found to adsorb more weakly on carbide surfaces than on the corresponding closest-packed pure metal surfaces only when there were surface carbon atoms...

  13. An expert system to characterize the surface morphological properties according to their functionalities

    International Nuclear Information System (INIS)

    Bigerelle, M; Mathia, T; Iost, A; Correvits, T; Anselme, K

    2011-01-01

    In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

  14. An expert system to characterize the surface morphological properties according to their functionalities

    Energy Technology Data Exchange (ETDEWEB)

    Bigerelle, M [Laboratoire Roberval, UMR 6253, UTC/CNRS, UTC Centre de Recherches de Royallieu BP 20529, 60205 Compiegne France stol BS1 6BE (United Kingdom); Mathia, T [Laboratoire de Tribologie et Dynamique des Systemes, UMR 5513, Ecole Centrale de Lyon, 36 Av Guy de Collongue, 69134 Ecully Cedex (France); Iost, A [Laboratoire de Mecanique de Lille, UMR CNRS 8107, Arts et Metiers ParisTech - Lille, 8, boulevard Louis XIV 59046 Lille (France); Correvits, T [Laboratoire de Metrologie. Arts et Metiers ParisTech, ENSAM, 8 boulevard Louis XIV, 59046 LILLE Cedex (France); Anselme, K, E-mail: maxence.bigerelle@utc.fr [Institut De Sciences Des Materiaux De Mulhouse, CNRS LRC 7228, 15, rue Jean Starcky, Universite De Haute-Alsace, BP 2488, 68057 Mulhouse (France)

    2011-08-19

    In this paper we propose a new methodology to characterize the morphological properties of a surface in relation with its functionality (tribological properties, surface coating adhesion, brightness, wettability...). We create a software based on experimental design and surface profile recording. Using an appropriate database structure, the roughness parameters are automatically computed at different scales. The surface files are saved in a hard disk directory and roughness parameters are computed at different scales. Finally, a statistical analysis system proposes the roughness parameter (or the pair of roughness parameters) that better describe(s) the functionality of the surface and the spatial scales at which the parameter(s) is (are) the more relevant.

  15. Influence of surface activated carbon nano fibres on mechanical properties of poly ether ketone (PEK)

    Science.gov (United States)

    Ajeesh, G.; Bhowmik, S.; Sivakumar, V.; Varshney, L.

    2017-05-01

    This investigation highlights different surface functionalization processes of Carbon Nano Fibres (CNF’s) and their effects on mechanical properties of Polyetherketone (PEK) nano composite. Surfaces of CNF’s were modified by low pressure plasma process. There is a significant change in physico-chemical characteristics of CNF’s after low plasma treatment as evident from Transmission Electron Microscopy (TEM) and Fourier Transform infrared Spectroscopic (FTIR) studies. Significant modification in surface morphology and oxygen functionalities are observed as a result of surface modification. There is a significant increase in mechanical properties of high performance polymeric nano composites when surface functionalized CNF’s are dispersed in polymeric matrix.

  16. Investigation of some properties of Nylon-6 surface treated by corona discharge in helium

    International Nuclear Information System (INIS)

    Dumitrascu, N.; Surdu, S.; Popa, Gh.; Raileanu, D.

    1996-01-01

    In this work an easy and less expensive method of treatment has been used by corona discharge. This allows to modify the surface properties and especially to improve the compatibility of polymers with biological tissue. The Nylon-6 as a test material was chosen. A scanning electron microscope to visualize the morphology of the morphology of the surface and an IR spectrophotometer able to identify the amide groups and other as well, have been used. Morphology of the treated surface by corona discharge emphasis an etching an etching and/or a crosslinking of amorphous domains, generally important to improve the properties as wetting, dyeing, adhesion, etc. Over all treated surface there is significant blood compatible properties without the need of heparinization of surface. The treated surface influences the biological behaviour of micro-organisms, respectively, that surface is a favourable medium for division of cells and may increase their lifetime. (authors)

  17. An instrument for the measurement of road surface reflection properties

    DEFF Research Database (Denmark)

    Corell, Dennis Dan; Sørensen, K.

    2017-01-01

    Road surface reflection data in the form of standard r-tables serve as input for design calculations of road lighting installations on traffic roads. However, in several countries the use of the standard r-tables has not been verified by measurement in a long period of time, while the types of road...... surfaces in use have changed - for instance to road surface types with less noise from wheel passages. Because of this, a co-operation between the road administrations of the Nordic countries (abbreviated NMF) decided to construct a portable instrument to be used on selections of traffic roads within...

  18. Spectral reflectance of surface soils: Relationships with some soil properties

    Science.gov (United States)

    Kiesewetter, C. H.

    1983-01-01

    Using a published atlas of reflectance curves and physicochemical properties of soils, a statistical analysis was carried out. Reflectance bands which correspond to five of the wavebands used by NASA's Thematic Mapper were examined for relationships to specific soil properties. The properties considered in this study include: Sand Content, Silt Content, Clay Content, Organic Matter Content, Cation Exchange Capacity, Iron Oxide Content and Moisture Content. Regression of these seven properties on the mean values of five TM bands produced results that indicate that the predictability of the properties can be increased by stratifying the data. The data was stratified by parent material, taxonomic order, temperature zone, moisture zone and climate (combined temperature and moisture). The best results were obtained when the sample was examined by climatic classes. The middle Infra-red bands, 5 and 7, as well as the visible bands, 2 and 3, are significant in the model. The near Infra-red band, band 4, is almost as useful and should be included in any studies. General linear modeling procedures examined relationships of the seven properties with certain wavebands in the stratified samples.

  19. Symmetric scaling properties in global surface air temperature anomalies

    Science.gov (United States)

    Varotsos, Costas A.; Efstathiou, Maria N.

    2015-08-01

    We have recently suggested "long-term memory" or internal long-range correlation within the time-series of land-surface air temperature (LSAT) anomalies in both hemispheres. For example, an increasing trend in the LSAT anomalies is followed by another one at a different time in a power-law fashion. However, our previous research was mainly focused on the overall long-term persistence, while in the present study, the upward and downward scaling dynamics of the LSAT anomalies are analysed, separately. Our results show that no significant fluctuation differences were found between the increments and decrements in LSAT anomalies, over the whole Earth and over each hemisphere, individually. On the contrary, the combination of land-surface air and sea-surface water temperature anomalies seemed to cause a departure from symmetry and the increments in the land and sea surface temperature anomalies appear to be more persistent than the decrements.

  20. Structure and properties of GMA surfaced armour plates

    OpenAIRE

    A. Klimpel; K. Luksa; M. Burda

    2010-01-01

    Purpose: In the combat vehicles many materials can be used for the armour. Application of the monolithic armour plates in light combat vehicles is limited by the high armour weigh. Introduction of the layered armour plates is a way to limit the vehicle weight. In the paper test results of graded and nanostructural GMA surfaced armour plates are presented.Design/methodology/approach: Metallographic structure, chemical composition and hardness of surfaced layers were investigated in order to ex...

  1. Thermal repellent properties of surface coating using silica

    Science.gov (United States)

    Lee, Y. Y.; Halim, M. S.; Aminudin, E.; Guntor, N. A.

    2017-11-01

    Extensive land development in urban areas is completely altering the surface profile of human living environment. As cities growing rapidly, impervious building and paved surfaces are replacing the natural landscape. In the developing countries with tropical climate, large masses of building elements, such as brick wall and concrete members, absorb and store large amount of heat, which in turn radiate back to the surrounding air during the night time. This bubble of heat is known as urban heat island (UHI). The use of high albedo urban surfaces is an inexpensive measure that can reduce surrounded temperature. Thus, the main focus of this study is to investigate the ability of silica, SiO2, with high albedo value, to be used as a thermal-repelled surface coating for brick wall. Three different silica coatings were used, namely silicone resin, silicone wax and rain repellent and one exterior commercial paint (jota shield paint) that commercially available in the market were applied on small-scale brick wall models. An uncoated sample also had been fabricated as a control sample for comparison. These models were placed at the outdoor space for solar exposure. Outdoor environment measurement was carried out where the ambient temperature, surface temperature, relative humidity and UV reflectance were recorded. The effect of different type of surface coating on temperature variation of the surface brick wall and the thermal performance of coatings as potential of heat reduction for brick wall have been studied. Based on the results, model with silicone resin achieved the lowest surface temperature which indicated that SiO2 can be potentially used to reduce heat absorption on the brick wall and further retains indoor passive thermal comfortability.

  2. A density functional study on properties of a Cu{sub 3}Zn material and CO adsorption onto its surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Qian-Lin, E-mail: qltang@xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Duan, Xiao-Xuan; Liu, Bei; Wei, An-Qing; Liu, Sheng-Long [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Wang, Qi, E-mail: qwang@mail.xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Liang, Yan-Ping, E-mail: ypliang@mail.xidian.edu.cn [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); Ma, Xiao-Hua [Department of Applied Chemistry, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China); State Key Discipline Laboratory of Wide Bandgap Semiconductor Technology, School of Advanced Materials and Nanotechnology, Xidian University, No. 2 South Taibai Road, Xi’an, Shaanxi 710071 (China)

    2016-02-15

    Graphical abstract: Periodic first-principles calculations have been utilized to evaluate the bulk and surface properties of a Cu{sub 3}Zn alloy. - Highlights: • The bulk and surface properties of a DO{sub 23}-Cu{sub 3}Zn alloy were studied with DFT-GGA. • The stability of Cu{sub 3}Zn surfaces correlates with the coordination of surface atoms. • Both the (1 1 4) and (2 1 4) facets are most likely observed in Cu{sub 3}Zn alloy particles. • Covalent bonding influences overwhelmingly the adsorption between CO and Cu{sub 3}Zn. - Abstract: Prior experimental and theoretical efforts have provided strong evidence that the formation of α-brass such as Cu{sub 3}Zn alloys in Cu/ZnO/Al{sub 2}O{sub 3} CO{sub 2}/CO hydrogenation catalysts enhances dramatically the catalytic activity toward methanol synthesis. In this work, a density functional theory (DFT) slab model has been adopted to get information concerning the bulk and surface properties of DO{sub 23}-like Cu{sub 3}Zn and to explore CO molecular adsorption, which will help pave the way to future rationalization of the impact of surface alloying on Cu/ZnO-based catalysis for CO{sub 2} and CO hydrogenations. Our calculations imply that the bulk modulus and cohesive energy of the binary solid solution lie between the corresponding ones for the individual components, but only the former quantity equals its composition weighted average. From the DFT-computed surface energies, the stability of Cu{sub 3}Zn surfaces was predicted to be reinforced in the sequence (1 1 0) < (1 0 1) < (1 1 1) < (1 0 0) = (0 0 1) < (2 1 4) < (1 1 4), which can be interpreted as sensitive to the density change of surface dangling bonds. The downward shifts in the C–O stretch frequency measured experimentally over methanol synthesis catalysts at successively elevated reduction temperatures were correctly reproduced by the present simulation for the adsorption of CO to take place at Cu{sub 3}Zn(1 1 4), Cu{sub 3}Zn(2 1 4) and, as a reference

  3. Preparation, anti-biofouling and drag-reduction properties of a biomimetic shark skin surface.

    Science.gov (United States)

    Pu, Xia; Li, Guangji; Huang, Hanlu

    2016-04-15

    Shark skin surfaces show non-smoothness characteristics due to the presence of a riblet structure. In this study, biomimetic shark skin was prepared by using the polydimethylsiloxane (PDMS)-embedded elastomeric stamping (PEES) method. Scanning electron microscopy (SEM) was used to examine the surface microstructure and fine structure of shark skin and biomimetic shark skin. To analyse the hydrophobic mechanism of the shark skin surface microstructure, the effect of biomimetic shark skin surface microstructure on surface wettability was evaluated by recording water contact angle. Additionally, protein adhesion experiments and anti-algae adhesion performance testing experiments were used to investigate and evaluate the anti-biofouling properties of the surface microstructure of biomimetic shark skin. The recorded values of the water contact angle of differently microstructured surfaces revealed that specific microstructures have certain effects on surface wettability. The anti-biofouling properties of the biomimetic shark skin surface with microstructures were superior to a smooth surface using the same polymers as substrates. Moreover, the air layer fixed on the surface of the biomimetic shark skin was found to play a key role in their antibiont adhesion property. An experiment into drag reduction was also conducted. Based on the experimental results, the microstructured surface of the prepared biomimetic shark skin played a significant role in reducing drag. The maximum of drag reduction rate is 12.5%, which is higher than the corresponding maximum drag reduction rate of membrane material with a smooth surface. © 2016. Published by The Company of Biologists Ltd.

  4. Preparation, anti-biofouling and drag-reduction properties of a biomimetic shark skin surface

    Directory of Open Access Journals (Sweden)

    Xia Pu

    2016-04-01

    Full Text Available Shark skin surfaces show non-smoothness characteristics due to the presence of a riblet structure. In this study, biomimetic shark skin was prepared by using the polydimethylsiloxane (PDMS-embedded elastomeric stamping (PEES method. Scanning electron microscopy (SEM was used to examine the surface microstructure and fine structure of shark skin and biomimetic shark skin. To analyse the hydrophobic mechanism of the shark skin surface microstructure, the effect of biomimetic shark skin surface microstructure on surface wettability was evaluated by recording water contact angle. Additionally, protein adhesion experiments and anti-algae adhesion performance testing experiments were used to investigate and evaluate the anti-biofouling properties of the surface microstructure of biomimetic shark skin. The recorded values of the water contact angle of differently microstructured surfaces revealed that specific microstructures have certain effects on surface wettability. The anti-biofouling properties of the biomimetic shark skin surface with microstructures were superior to a smooth surface using the same polymers as substrates. Moreover, the air layer fixed on the surface of the biomimetic shark skin was found to play a key role in their antibiont adhesion property. An experiment into drag reduction was also conducted. Based on the experimental results, the microstructured surface of the prepared biomimetic shark skin played a significant role in reducing drag. The maximum of drag reduction rate is 12.5%, which is higher than the corresponding maximum drag reduction rate of membrane material with a smooth surface.

  5. Structured materials for catalytic and sensing applications

    Science.gov (United States)

    Hokenek, Selma

    The optical and chemical properties of the materials used in catalytic and sensing applications directly determine the characteristics of the resultant catalyst or sensor. It is well known that a catalyst needs to have high activity, selectivity, and stability to be viable in an industrial setting. The hydrogenation activity of palladium catalysts is known to be excellent, but the industrial applications are limited by the cost of obtaining catalyst in amounts large enough to make their use economical. As a result, alloying palladium with a cheaper, more widely available metal while maintaining the high catalytic activity seen in monometallic catalysts is, therefore, an attractive option. Similarly, the optical properties of nanoscale materials used for sensing must be attuned to their application. By adjusting the shape and composition of nanoparticles used in such applications, very fine changes can be made to the frequency of light that they absorb most efficiently. The design, synthesis, and characterization of (i) size controlled monometallic palladium nanoparticles for catalytic applications, (ii) nickel-palladium bimetallic nanoparticles and (iii) silver-palladium nanoparticles with applications in drug detection and biosensing through surface plasmon resonance, respectively, will be discussed. The composition, size, and shape of the nanoparticles formed were controlled through the use of wet chemistry techniques. After synthesis, the nanoparticles were analyzed using physical and chemical characterization techniques such as X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), and Scanning Transmission Electron Microscopy- Energy-Dispersive Spectrometry (STEM-EDX). The Pd and Ni-Pd nanoparticles were then supported on silica for catalytic testing using mass spectrometry. The optical properties of the Ag-Pd nanoparticles in suspension were further investigated using ultraviolet-visible spectrometry (UV-Vis). Monometallic palladium particles have

  6. Ion beam application for improved polymer surface properties

    International Nuclear Information System (INIS)

    Lee, E.H.; Rao, G.R.; Lewis, M.B.; Mansur, L.K.

    1992-01-01

    Various polymeric materials were subjected to bombardment by different energetic ions with energies ranging from 200 to 1000 keV. Tests showed substantial improvements in hardness, wear resistance, oxidation resistance, resistance to chemicals, and electrical conductivity. The magnitude of property changes was strongly dependent upon ion species, energy, dose, and polymer structure. Both hardness and electrical conductivity increased with ion energy and dose. These properties were apparently related to the effectiveness of cross-linking. Ion species with a large electronic stopping cross-section are expected to produce more crosslinking. It is believed that the polymer property improvements are commensurate with the extent of crosslinking, which is responsible for the formation of three-dimensionally-connected, carbon-rich, rigid networks. 22 refs, 5 figs

  7. Surface electronic properties of discontinuous Pd films during hydrogen exposure

    International Nuclear Information System (INIS)

    Zhao, Ming; Nagata, Shinji; Shikama, Tatsuo; Inouye, Aichi; Yamamoto, Shunya; Yoshikawa, Masahito

    2011-01-01

    This paper explored the change in the surface resistance of the discontinuous palladium (Pd) films during hydrogen exposure. In our experiments, we observed a remarkable rise in the electrical resistance of the discontinuous film which consists of nano-sized particles, when it was exposed to thin hydrogen. By studying the resistance change ratio before and after hydrogen exposure, we have found that it demonstrates an inverse exponential relationship with the ratio of on-film particle radius to the inter island separation. This suggests that the change in the film resistance under hydrogen exposure is primarily associated with the variation of surface work function which is caused by the hydrogen absorption on the Pd surface. (author)

  8. Study of the catalytic activity of supported technetium catalysts

    International Nuclear Information System (INIS)

    Spitsyn, V.I.; Mikhailenko, I.E.; Pokorovskaya, O.V.

    1985-01-01

    The radioactive d metal 43 Tc 99 has catalytic properties in the synthesis of ammonia. For the purpose of reducing the quantity of the radioactive metal and of increasing the specific surface, the active component was applied to BaTiO 3 and gamma-Al 2 O 3 supports. This paper uses charcoal as a support and a table presents the catalytic activity of the samples during the synthesis of ammonia. X-ray diffractometric investigation of the catalysts was carried out with the use of Cu K /SUB alpha/ radiation. It is shown that the catalysts. The values of the specific rate constants of technetium in the catalysts. The values of the specific rate constants remain practically constant for all the catalyst samples studied, attesting to the absence of a specific metal-support interaction during the synthesis of ammonia

  9. The Catalytic Behaviour of NanoAg@montmorillonite Composite Materials

    Science.gov (United States)

    Karlíková, Martina; Kvítek, Libor; Prucek, Robert; Panáček, Aleš; Filip, Jan; Pechoušek, Jiří; Adegboyega, Nathaniel F.

    The preparation of nanoAg@montmorillonite composite materials and their catalytic activity is reported in this article. The nanoAg@montmorillonite composite materials were prepared by the adsorption of silver NPs, with an average size about 30 nm, from their aqueous dispersion onto two types of montmorillonite with different chemical composition. Silver NPs were prepared via modified Tollens process, which involves the reduction of [Ag(NH3)2]+ complex cation by maltose. The amount of silver NPs anchored onto the MMT surfaces was determined by UV-VIS spectroscopy; the decrease in absorbance of the dispersion after the adsorption was monitored. Prepared nanocomposite materials were subsequently characterized by means of transmission electron microscopy (TEM) and powder X-ray diffraction (XRD). The reduction of 4-nitrophenol by sodium borohydride was chosen to examine the catalytic properties of the synthesized silver nanocomposite materials.

  10. Influence of basic properties of Mg,Al-mixed oxides on their catalytic activity in knoevenagel condensation between benzaldehyde and phenylsulfonylacetonitrile

    Directory of Open Access Journals (Sweden)

    Caridad Noda Pérez

    2009-01-01

    Full Text Available The catalytic performance of Mg,Al-mixed oxides (MO20, MO25 and MO33 derived from hydrotalcites was evaluated in the Knoevenagel reaction between benzaldehyde and phenylsulfonylacetonitrile at 373 and 383 K. The best results were obtained for the sample MO20 that presented the highest basic sites density and external area and the smallest crystallite sizes. The relative amount of basic sites with weak to intermediate strength also played an important role on catalytic performance. By increasing the catalyst content from 1 to 5 wt.% at 383 K, a complete conversion of the reactants is attained, producing α-phenylsulfonylcinnamonitrile with a selectivity of 100%.

  11. Study of catalytic properties of sol-gel-derived CoO x -SiO2 film systems by the example of the growth of carbon nanomaterials

    Science.gov (United States)

    Levitskii, V. S.; Maksimov, A. I.; Moshnikov, V. A.; Terukov, E. I.

    2014-07-01

    Film catalytic samples in the Si-Co-O system in the composition range from 15 to 90 mol % Co have been prepared using the sol-gel technology. Carbon nanomaterials have been fabricated by pyrolytic synthesis using these films as catalysts. Raman spectroscopy of materials has shown that multiwalled carbon nanotubes are formed by pyrolysis on catalytic films containing Co3O4. The dependence of the carbon material length on the synthesis time has been considered. It has been shown that the average growth rate of tubes and fibers is ˜3 μm/min.

  12. Green synthesis of CuO nanoparticles loaded on the seashell surface usingRumex crispusseeds extract and its catalytic applications for reduction of dyes.

    Science.gov (United States)

    Rostami-Vartooni, Akbar

    2017-06-01

    In this study, CuO nanoparticles supported on the seashell (CuO NPs/seashell) was prepared using Rumex crispus seeds extract as a chelating and capping agent. The prepared nanocomposite was characterised by Fourier transform infrared spectroscopy, X-ray diffraction, field emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and transmission electron microscopy. The particle size of CuO NPs on the seashell sheets was in the range of 8-60 nm. Catalytic ability of CuO NPs/seashell was investigated for the reduction of 4-nitrophenol (4-NP) and Congo red (CR). It was observed that catalyst can be easily recovered and reused several times without any significant loss of catalytic efficiency.

  13. Solid Lubrication Fundamentals and Applications. Properties of Clean Surfaces: Adhesion, Friction, and Wear

    Science.gov (United States)

    Miyoshi, Kazuhisa

    1998-01-01

    This chapter presents the adhesion, friction, and wear behaviors of smooth, atomically clean surfaces of solid-solid couples, such as metal-ceramic couples, in a clean environment. Surface and bulk properties, which determine the adhesion, friction, and wear behaviors of solid-solid couples, are described. The primary emphasis is on the nature and character of the metal, especially its surface energy and ductility. Also, the mechanisms of friction and wear for clean, smooth surfaces are stated.

  14. Producing the surface structures with required properties with the help of concentrated fluxes of particles

    International Nuclear Information System (INIS)

    Li, I.P.; Rukhlyada, N.Ya.

    2005-01-01

    Pulsed plasma treatment has been proposed for modification of the surface layers of metal-matrix-porous cathodes and parts of electronic-vacuum devices. Surface plasma treatment leads to improvement of thermal emission properties of effective cathodes: work function decreases, secondary electron emission coefficient increases, and surface emission uniformity improves. With the help of pulse plasma, surface smoothing as well as formation of composite coatings can be done [ru

  15. Construction of High Activity Titanium Dioxide Crystal Surface Heterostructures and Characterization of Its Basic Properties

    Science.gov (United States)

    Wang, Chunxiao; Li, DanQi; Shen, Tingting; Lu, Cheng; Sun, Jing; Wang, Xikui

    2018-01-01

    Heterogeneous photocatalytic materials, which combine the advantages of photocatalytic materials and heterojunction, have been developed rapidly in the field of environmental pollution control. In this paper, TiO2 surface heterojunction catalysts with different catalytic activity were prepared by controlling the amount of HF, and their XRD characterization was also carried out. In addition, the optimum amount of HF was determined by photocatalytic degradation of simulated dye wastewater by methylene blue solution. And the optimal amount of catalyst and the optimal pH reaction conditions for degradation experiments were used to screen the highly reactive titania