Search results for "heterogeneous"

“Supported Co3O4-CeO2 monoliths: effect of preparation method and Pd-Pt promotion on the CO/CH4 oxidation activity”

2006

Abstract Two structured composite oxides, Co3O4(30wt%)-CeO2(70wt%), have been prepared by washcoating commercial cordierite monoliths with a CeO2-γAl2O3 layer, on which the active phase Co3O4-CeO2 was added through two different methods: dip-coating from a suspension containing the preformed active oxide or impregnation with a solution of the cobalt and cerium precursors. Morphological characterizations of the monoliths have been performed by BET, and SEM-EDAX analyses. Electronic and reduction properties have been evaluated by XPS and H2-TPR, respectively. The effect of the preparation method has been investigated in the catalytic oxidation of CO, whereas the promotion by a low content of …

Kompleksy metali przejściowych z zasadami Lewisa jako prekursory katalizatorów polimeryzacji olefin. Cz. I. Postęp w komputerowym modelowaniu procesu…

2001

A review with 35 references covering molecular modeling in coordination polymerization over homogeneous and heterogeneous Ziegler-Natta catalysts. The study includes supports, cocatalysts, Lewis bases and solvents. Recent progress in elucidating the mechanisrn of elementary polymerization steps is presented against the background of rapidly deveIoping computational methods and available computational power. Theoretical studies on polymerization mcchanisms and structure of active centers are described (egns. 1-4). Authors own calculations are used to compare [MtC14(THF)2] complex-based (Mt = Ti, Hf or Zr) heterogeneous catalysts. The geometrical characteristics of precursors is presented (Ta…

Agents driven smart sensors

2017

Any physical area (like schools, home, hospitals etc.) that uses either mobile devices, sensors, embedded systems or computers to gather information from the users and the environment and eventually, adapt according to the new information gained. [1] Smart spaces compromises of heterogeneous hardware which often leads to the issues of interoperability. One way of reducing the heterogeneity between the sensors is to introduce the semantic interface as sensors default interface. Semantic Web provides a common interface and for-mat for data representation so that one can decrease the heterogeneity of data and increase data reusability. [2] With the Smart Spaces, it is important to use only the…

Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters

2019

<p>Water dissociation is an important reaction involved in many industrial processes and a good model reaction for probing the activity of catalytic sites. In this computational study, the dissociation of water at interfacial sites of globally optimized ZrO2 sup- ported Pt and Rh clusters is investigated under the framework of density functional theory. Our findings demonstrate that the perimeter sites of these small clusters can activate water, but the dissociation behavior varies considerably between sites. It is shown that the studied clusters break scaling relationships for water dissociation, suggesting these catalysts may achieve activities beyond the maximum imposed by such rel…

Reduction and catalytic behaviour of heterobimetallic copper–lanthanide oxides

2008

Abstract The reduction of the heterobimetallic copper–lanthanide oxides 2CuO·CeO2 and 3CuO·Ln2CuO4 (Ln = La, Pr, Nd) was studied by H2-TG/DTA and H2-TPR. All systems exhibit two main reduction steps accompanied by mass losses in the temperature range 20–1000 °C. The first step was attributed to CuO reduction, whereas the second step is due either to copper reduction in the Ln2CuO4 phase with the concomitant formation of Ln2O3 or to the surface reduction of CeO2. The products were characterized by XRD, SEM, EDX, and BET techniques and are better described as supported copper type materials. They were active for the mesityl oxide (4-methyl-2-penten-2-one) gas phase hydrogenation.

COMPUTATIONAL APPROACHES EMPLOYED IN THE SusFuelCat PROJECT

2013

Elementary steps in heterogeneous catalysis: The basis for environmental chemistry

2017

Kataliza stała się obecnie alternatywnym sposobem na natychmiastowe tworzenie produktu chemicznego z uwagi na niższą barierę energetyczną (między cząsteczkami a katalizatorami). Kataliza heterogenna obejmuje przyspieszenie reakcji chemicznej poprzez oddziaływanie cząsteczek związanych z powierzchnią ciała stałego. Jest to dyscyplina, która obejmuje różne aspekty chemii: chemię nieorganiczną i analityczną w celu scharakteryzowania katalizatorów i form tych katalizatorów. Chemia przemysłowa następnie łączy te wszystkie zagadnienia razem, aby zrozumieć chemiczną manipulację ciał stałych, reakcję chemiczną i inżynierię energetyczną oraz przenoszenie ciepła i masy w tych procesach katalitycznych…

Unraveling the prominent role of the Rh/ZrO2-interface in the water-gas shift reaction via a first principles microkinetic study

2018

The industrially important water–gas-shift (WGS) reaction is a complex network of competing elementary reactions in which the catalyst is a multicomponent system consisting of distinct domains. Herein, we have combined density functional theory calculations with microkinetic modeling to explore the active phase, kinetics, and reaction mechanism of the WGS over the Rh–ZrO2 interface. We have explicitly considered the support and metal and their interface and find that the Rh–ZrO2 interface is far more active toward WGS than Rh(111) facets, which are susceptible to CO poisoning. CO2 forming on the zirconia support rapidly transforms into formate. These findings demonstrate the central role of…

Photocatalytic degradation of nitrophenols in aqueous titanium dioxide dispersion

1991

Abstract The results are reported of an investigation into the photodegradation of nitrophenol isomers carried out in aqueous titania (anatase) dispersions under various experimental conditions. We investigated the influence of various parameters on the photodegradation rate, such as the concentrations of the catalyst, dissolved oxygen and organic compound, and the presence of various anions in the dispersion. A plausible explanation is proposed for the influence of these parameters, both mechanistic and kinetic factors being accounted for. Gas chromatography and mass spectrometry were used as analytical methods in order to determine intermediate products. Spectroscopic methods (UV-vis and …

The formation, properties and impact of secondary organic aerosol: Current and emerging issues

2009

Hallquist, M. Wenger, J. C. Baltensperger, U. Rudich, Y. Simpson, D. Claeys, M. Dommen, J. Donahue, N. M. George, C. Goldstein, A. H. Hamilton, J. F. Herrmann, H. Hoffmann, T. Iinuma, Y. Jang, M. Jenkin, M. E. Jimenez, J. L. Kiendler-Scharr, A. Maenhaut, W. McFiggans, G. Mentel, Th. F. Monod, A. Prevot, A. S. H. Seinfeld, J. H. Surratt, J. D. Szmigielski, R. Wildt, J.; Secondary organic aerosol (SOA) accounts for a significant fraction of ambient tropospheric aerosol and a detailed knowledge of the formation, properties and transformation of SOA is therefore required to evaluate its impact on atmospheric processes, climate and human health. The chemical and physical processes associated wit…