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Relevant bibliographies by topics / Reactivity and catalysis

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Academic literature on the topic 'Reactivity and catalysis'

Author: Grafiati

Published: 17 September 2021

Last updated: 18 February 2022

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Journal articles on the topic "Reactivity and catalysis"

1

Dagorne, Samuel. "Recent Developments on N-Heterocyclic Carbene Supported Zinc Complexes: Synthesis and Use in Catalysis." Synthesis 50, no. 18 (2018): 3662–70. http://dx.doi.org/10.1055/s-0037-1610088.

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The present contribution reviews the synthesis, reactivity, and use in catalysis of NHC–Zn complexes reported since 2013. NHC-stabilized Zn(II) species typically display enhanced stability relative to common organozinc species (such as Zn dialkyls), a feature of interest for the mediation of various chemical processes and the stabilization of reactive Zn-based species. Their use in catalysis is essentially dominated by reduction reactions of various unsaturated small molecules (including CO2), thus primarily involving Zn–H and Zn–alkyl derivatives as catalysts. Simple NHC adducts of Zn(II) dihalides also appear as effective catalysts for the reduction amination of CO2 and borylation of alkyl/aryl halides. Stable and well-defined Zn alkoxides have also been prepared and behave as effective catalysts in the polymerization of cyclic esters/carbonates for the production of well-defined biodegradable materials. Overall, the attractive features of NHC-based Zn(II) species include ready access, a reasonable stability/reactivity balance, and steric/electronic tunability (through the NHC source), which should promote their further development.1 Introduction2 NHC-Supported Zinc Alkyl/Aryl Species2.1 Synthesis2.2 Reactivity and Use in Catalysis3 NHC-Supported Zinc Hydride Species3.1 Synthesis3.2 Reactivity and Use in Catalysis4 NHC-Supported Zinc Amido/Alkoxide Species4.1 Synthesis4.2 Use in Catalysis5 NHC-Supported Zinc Dihalide Species5.1 Synthesis5.2 Use in Catalysis6 Other NHC-Stabilized Zn Species7 Conclusion

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De Coster, Valentijn, Hilde Poelman, Jolien Dendooven, Christophe Detavernier, and Vladimir V. Galvita. "Designing Nanoparticles and Nanoalloys for Gas-Phase Catalysis with Controlled Surface Reactivity Using Colloidal Synthesis and Atomic Layer Deposition." Molecules 25, no. 16 (2020): 3735. http://dx.doi.org/10.3390/molecules25163735.

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Supported nanoparticles are commonly applied in heterogeneous catalysis. The catalytic performance of these solid catalysts is, for a given support, dependent on the nanoparticle size, shape, and composition, thus necessitating synthesis techniques that allow for preparing these materials with fine control over those properties. Such control can be exploited to deconvolute their effects on the catalyst’s performance, which is the basis for knowledge-driven catalyst design. In this regard, bottom-up synthesis procedures based on colloidal chemistry or atomic layer deposition (ALD) have proven successful in achieving the desired level of control for a variety of fundamental studies. This review aims to give an account of recent progress made in the two aforementioned synthesis techniques for the application of controlled catalytic materials in gas-phase catalysis. For each technique, the focus goes to mono- and bimetallic materials, as well as to recent efforts in enhancing their performance by embedding colloidal templates in porous oxide phases or by the deposition of oxide overlayers via ALD. As a recent extension to the latter, the concept of area-selective ALD for advanced atomic-scale catalyst design is discussed.

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Konsolakis, Michalis, and Maria Lykaki. "Facet-Dependent Reactivity of Ceria Nanoparticles Exemplified by CeO2-Based Transition Metal Catalysts: A Critical Review." Catalysts 11, no. 4 (2021): 452. http://dx.doi.org/10.3390/catal11040452.

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The rational design and fabrication of highly-active and cost-efficient catalytic materials constitutes the main research pillar in catalysis field. In this context, the fine-tuning of size and shape at the nanometer scale can exert an intense impact not only on the inherent reactivity of catalyst’s counterparts but also on their interfacial interactions; it can also opening up new horizons for the development of highly active and robust materials. The present critical review, focusing mainly on our recent advances on the topic, aims to highlight the pivotal role of shape engineering in catalysis, exemplified by noble metal-free, CeO2-based transition metal catalysts (TMs/CeO2). The underlying mechanism of facet-dependent reactivity is initially discussed. The main implications of ceria nanoparticles’ shape engineering (rods, cubes, and polyhedra) in catalysis are next discussed, on the ground of some of the most pertinent heterogeneous reactions, such as CO2 hydrogenation, CO oxidation, and N2O decomposition. It is clearly revealed that shape functionalization can remarkably affect the intrinsic features and in turn the reactivity of ceria nanoparticles. More importantly, by combining ceria nanoparticles (CeO2 NPs) of specific architecture with various transition metals (e.g., Cu, Fe, Co, and Ni) remarkably active multifunctional composites can be obtained due mainly to the synergistic metalceria interactions. From the practical point of view, novel catalyst formulations with similar or even superior reactivity to that of noble metals can be obtained by co-adjusting the shape and composition of mixed oxides, such as Cu/ceria nanorods for CO oxidation and Ni/ceria nanorods for CO2 hydrogenation. The conclusions derived could provide the design principles of earth-abundant metal oxide catalysts for various real-life environmental and energy applications.

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Wang, Danfeng, Robert Malmberg, Indrek Pernik, et al. "Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis." Chemical Science 11, no. 24 (2020): 6256–67. http://dx.doi.org/10.1039/d0sc02703k.

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A series of tethered dual catalysts were developed, with catalytic investigations demonstrating that tethering enhances photocatalysis and thermally activated Ir catalysis. In addition, sequential and switchable catalytic reactivity was achieved.

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de Bruin, Bas, and Colet te Grotenhuis. "Radical-type Reactions Controlled by Cobalt: From Carbene Radical Reactivity to the Catalytic Intermediacy of Reactive o-Quinodimethanes." Synlett 29, no. 17 (2018): 2238–50. http://dx.doi.org/10.1055/s-0037-1610204.

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In this account, we summarize our recent efforts in the fields of ‘open-shell organometallic chemistry’ and ‘metalloradical catalysis’. We focus in particular on the use of so-called ‘carbene radicals’ for the synthesis of a variety of useful synthons for organic chemistry. We further show that unexpected reactivity arises from catalytic synthesis of unusual o-quinone methide and o-quinodimethane intermediates that undergo subsequent rearrangements to uncommon products.1 Introduction2 General (Fischer-Type) Carbene and Nitrene Reactivity and Their Relation to Carbene and Nitrene Radical Reactivity3 Carbene and Nitrene (Radical) Precursors4 Formation and Intrinsic Radical-Type Reactivity of Carbene and Nitrene Radicals5 Types of Cobalt Catalysts Used in Reactions Involving Carbene and Nitrene Radicals6 Applications of Cobalt-Catalyzed Ring-Closure Reactions via Carbene Radicals7 Intermediacy of o-Quinone Methide and o-Quidodimethanes in Carbene Ring-Closing Reactions8 Conclusion

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Dong, Xiao-Yun, Zi-Wei Gao, Ke-Fang Yang, Wei-Qiang Zhang, and Li-Wen Xu. "Nanosilver as a new generation of silver catalysts in organic transformations for efficient synthesis of fine chemicals." Catalysis Science & Technology 5, no. 5 (2015): 2554–74. http://dx.doi.org/10.1039/c5cy00285k.

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Silver nanoparticles catalysis has been of great interest in organic synthesis and has expanded rapidly in the past ten years because of nanosilver catalysts' unique reactivity and selectivity, stability, as well as recyclability in catalytic reactions.

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Mosinska, Magdalena, Natalia Stępińska, Waldemar Maniukiewicz, et al. "Hydrogen Production on Cu-Ni Catalysts via the Oxy-Steam Reforming of Methanol." Catalysts 10, no. 3 (2020): 273. http://dx.doi.org/10.3390/catal10030273.

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In this work, bimetallic Cu-Ni catalysts supported on binary oxides containing ZnO, ZrO2, CeO2 and Al2O3 were investigated in hydrogen production via the oxidative steam reforming of methanol (OSRM). Their physicochemical properties were extensively studied using various methods such as BET, TPR-H2, TPD-NH3, XRD, SEM-EDS, ToF-SIMS and XPS. The reactivity measurements showed that the active phase and support composition played an important role in the activity of the catalyst in the OSRM. The most active system at higher temperatures was 30% Cu–10% Ni/CeO2·Al2O3, with high catalytic activity attributed to the Cu0.8Ni0.2 alloy formation. In addition, the reactivity results showed that the most active catalyst exhibited high acidity and was easily reduced. At low temperatures, the best catalytic properties were exhibited by 30% Cu–10% Ni/ZrO2·Al2O3. The reactivity and physicochemical properties of the studied catalysts confirmed the crucial role of alloy composition on their catalytic properties in the oxy-steam reforming of methanol. The obtained results validate the possibility of using Cu-Ni catalysts for hydrogen production.

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Dare, Nicola A., and Timothy J. Egan. "Heterogeneous catalysis with encapsulated haem and other synthetic porphyrins: Harnessing the power of porphyrins for oxidation reactions." Open Chemistry 16, no. 1 (2018): 763–89. http://dx.doi.org/10.1515/chem-2018-0083.

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AbstractEncapsulated metalloporphyrins have been widely studied for their use as efficient heterogeneous catalysts, inspired by the known catalytic activity of porphyrins in haemoproteins. The oxidation of organic substrates by haemoproteins is one of the well-known roles of these proteins, in which the haem (ferriprotoporphyrin IX = FePPIX) cofactor is the centre of reactivity. While these porphyrins are highly efficient catalysts in the protein environment, once removed, they quickly lose their reactivity. It is for this reason that they have garnered much interest in the field of heterogeneous catalysis of oxidation reactions. This review details current research in the field, focusing on the application of encapsulated haem, and other synthetic metalloporphyrins, applied to oxidation reactions.

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Park, Jongmin, Hyo Seok Kim, Won Bo Lee, and Myung-June Park. "Trends and Outlook of Computational Chemistry and Microkinetic Modeling for Catalytic Synthesis of Methanol and DME." Catalysts 10, no. 6 (2020): 655. http://dx.doi.org/10.3390/catal10060655.

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The first-principle modeling of heterogeneous catalysts is a revolutionarily approach, as the electronic structure of a catalyst is closely related to its reactivity on the surface with reactant molecules. In the past, detailed reaction mechanisms could not be understood, however, computational chemistry has made it possible to analyze a specific elementary reaction of a reaction system. Microkinetic modeling is a powerful tool for investigating elementary reactions and reaction mechanisms for kinetics. Using a microkinetic model, the dominant pathways and rate-determining steps can be elucidated among the competitive reactions, and the effects of operating conditions on the reaction mechanisms can be determined. Therefore, the combination of computational chemistry and microkinetic modeling can significantly improve computational catalysis research. In this study, we reviewed the trends and outlook of this combination technique as applied to the catalytic synthesis of methanol (MeOH) and dimethyl ether (DME), whose detailed mechanisms are still controversial. Although the scope is limited to the catalytic synthesis of limited species, this study is expected to provide a foundation for future works in the field of catalysis research based on computational catalysis.

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Minaev, Boris F., and Hans Ågren. "Spin-Orbit Coupling Induced Chemical Reactivity and Spin-Catalysis Phenomena." Collection of Czechoslovak Chemical Communications 60, no. 3 (1995): 339–71. http://dx.doi.org/10.1135/cccc19950339.

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The crucial role of electron spin in the control of the reaction channels in the region of activated complexes can easily be inferred from the general principles of chemical bonding. Magnetic perturbations could change spin at the intermediate stages of a reaction or in the region of activation barriers and could hence influence the reaction rate through spin switching of the reaction paths. Spin-orbit coupling is one of the most important intrinsic magnetic perturbations in molecules; its role in chemical reactivity is here shown by a few typical examples. Spin-orbit coupling induced spin flip could also be important in catalysis by transition metals. General qualitative arguments predict great enhancements of the spin-orbit coupling in catalytic complexes with transition metal compounds. The concept of spin-catalysis is introduced in order to describe and classify a wide range of phenomena in which chemical reactions are promoted by substances assisting in inducing spin changes and overcoming spin-prohibition. This concept is based on results of quantum chemical calculations with account of spin-orbit coupling and configuration interaction in the intermediate complexes. Besides spin-orbit coupling, the role of intermolecular exchange interaction with open shell catalysts is stressed. The catalytic action would definitely depend on the efficiency of spin uncoupling inside the reacting substrate molecule and this could be induced by magnetic and exchange perturbations.

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Dissertations / Theses on the topic "Reactivity and catalysis"

1

KELLOGG, GLEN EUGENE. "ELECTRONIC FACTORS OF CARBON - HYDROGEN AND DOUBLE-BONDED CARBON BOND ACTIVATION: EXPERIMENTAL INFORMATION FROM ULTRAVIOLET AND X-RAY PHOTOELECTRON SPECTROSCOPIES (CORE, VALENCE, OLEFIN)." Diss., The University of Arizona, 1985. http://hdl.handle.net/10150/188067.

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Principles of transition metal electronic structure are presented to enable an understanding of the activation of C-H and C=C bonds by metals. A multitechnique approach utilizing core and valence photoelectron spectroscopies (p.e.s.) and molecular orbital calculations has been used to gain these insights. In the first half of the dissertation three principles are developed: ligand additivity, core-valence ionization correlation, and ring methylation. In the latter half of the dissertation these principles are seen to be crucial for understanding ionization data for the C-H and C=C activated species. Additive (with respect to ligand substitution) electronic effects, including additive core and valence ionization potentials, are shown in the p.e.s. of phosphine substituted molybdenum carbonyls. These additive effects demonstrate that the electronic effects of ligand substitution are predictable from empirical models. The core-valence ionization correlation enables direct comparison of XPS (core) and UPS (valence) ionization data and allows separation of bonding and overlap induced valence shift effects from Coulombic and relaxation shift effects. In the study of trimethylphosphine substituted cyclopentadienylmanganese tricarbonyl complexes, both the ligand additivity and core-valence ionization correlation principles are less valid than for the molybdenum carbonyl complexes because of loss of the very influential carbonyl backbonding. Methylation of the cyclopentadienyl ring in this system adds another independent variable of electronic structure perturbation and enables separation of the one-center and two-center Coulombic contributions to the core shifts. The above principles are used in the later chapters to show that the initial activation of the C-H bond in alkenylmanganese tricarbonyl complexes is dominated by the interaction of the C-H sigma bonding level with empty metal acceptor levels. The activation stops at the agostic stage rather than proceeding to full β-hydribe abstraction because there is, in these molecules, no gain in the number of pi electrons between the allyl and diene hydride endpoints of the abstraction cycle. Activation of the C=C bond in the cyclopentadienylmetal olefins is similar for Co and Rh complexes despite little similarity in the valence ionization spectra. The spectral differences are largely caused by the relaxation energy differences between Co and Rh. These complexes also provide interesting examples of electron delocalization through the metal. Permethylation of the cyclopentadienyl ring shifts the olefin pi ligand ionizations more than the expected Coulombic shift.

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Lev, Daniel Abraham. "Group 8 and 9 half sandwich complexes of N-heterocyclic phosphines : synthesis, reactivity, and catalysis /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2004. http://wwwlib.umi.com/cr/ucsd/fullcit?p3158465.

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3

Page, Michael I. "Catalysis and reactivity in chemistry and enzymology." Thesis, University of Huddersfield, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.285024.

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Fourre, Elodie. "Surface science and catalysis studies of the structure and reactivity of model catalysts." Thesis, Cardiff University, 2006. http://orca.cf.ac.uk/56085/.

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In this thesis, the structure and reactivity of palladium on titania has been studied on high surface area powdered materials and on low surface area models. Mathematical models have been established which relate the particle radius to various parameters such as particle surface area, density of particles, interparticle distance and coverage. The sintering process is studied through STM imaging and particle size distribution (PSD) calculation on two models. The technique resulting in PSD consists in the calculation of the particle density as a function of 4 parameters: perimeter, area, height and volume of the particle. This is done through the analysing of STM images using a build-in-house software. It is found that Cu followed the Ostwald ripening process while Pd followed the coalescence sintering. From the analysis of the Auger spectra, the growth mode of Cu and Pd were found to follow the Volmer -Weber mode consisting of 3D particle growth. The structure of the Pd/Ti02 system is investigated via STM and LEED analysis. It is shown that Pd nanoparticles supported TiC>2 reconstructed upon annealing into hexagonal, wagonwheel, star shape and zigzag superstructures. These various structures have unit cell dimensions varying from 9.5A to 25A and consist of mixed layer of titanium and palladium in their ground state. The possible structures are modelled and it is concluded that the Ti or Pd adatoms can be situated in atop, 2- or 3-fold sites. TPR results shows that CO uptake capacity is lost when the catalyst is reduced to high temperature. However, the CO oxidation reaction is enhanced. It is shown that encapsulation of Pd by TiOx species is responsible for the loss of CO adsorption but also for the improvement of the CO oxidation. Weakly bound forms of CO and new active centres, as a result of the reconstruction, can improve the activity of the CO oxidation reaction.

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PANG, LOUIS SING KIM. "THE ELECTRONIC STRUCTURES OF ORGANOMETALLIC ALKYNE AND VINYLIDENE COMPLEXES AS DETERMINED BY X-RAY AND ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY (CYCLOPENTADIENYL, VALENCE, MANGANESE, CORE, VANADIUM)." Diss., The University of Arizona, 1985. http://hdl.handle.net/10150/188072.

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The chemistry and bonding of alkynes and vinylidenes in organometallic complexes have been investigated. A variety of these complexes have been synthesized and characterized by X-ray crystallography, temperature-dependent NMR, molecular orbital calculations, and most importantly, HeI, HeII and MgKα photoelectron spectroscopy (PES). The core and valence ionizations are found to be very informative with regard to the relative bond strengths and stabilities of these complexes. The first step involved preparation of the series of complexes R-CpM(CO)₂(alkyne) (R-Cp = Cp, MeCp and Me₅Cp). When M = Mn, Re (alkyne = 3-hexyne, 2-butyne and hexafluoro-2-butyne), the molecular mirror plane bisects the alkyne (horizontal conformation). PES shows the alkyne (π(⊥)) orbital forms a filled-filled interaction with the frontier metal orbital which is significantly destabilized. The ionizations derived from the two alkyne π orbitals are not split. When M = V, the alkyne (C₂H₂, 3-hexyne, etc.) coincides with the molecular mirror plane (vertical conformation). PES shows the alkyne π(⊥) orbital donates electrons to the electron deficient vanadium and the metal backbonds strongly to the alkyne. Electronic factors controlling the conformations in the d⁶ manganese case has been much discussed in the literature. Another factor not previously identified is necessary for understanding the conformation in the d⁴ vanadium case. The energy of the LUMO reveals that this factor is donation of cyclopentadienyl electrons into an empty d orbital of the electron deficient vanadium. Rearrangement of alkyne complexes to terminal vinylidene and bridging vinylidene complexes, similar to reactions of organic molecules on metal surfaces, were also investigated. The series of [R-CpMn(CO)₂]₂(μC=CHR') (R' = H, Me) (Chapter 6) and CpMn(CO)₂(C=CHBuᵗ) (Chapter 7) complexes were prepared. PES showed that the terminal vinylidene ligand has less filled-filled interaction with the metal and stabilizes the metal more than the alkyne does. The bridging vinylidene accepts more electron density from the metals and stabilizes the metals more than the terminal vinylidene. The removal of antibonding electrons from the HOMO of the metal fragment by the bridging vinylidene leaves net metal-metal bonding interaction and forms a stable dimetallocyclopropane structure.

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Nel, Jacques. "Metaloxycarbene complexes : synthesis, characterisation and reactivity in catalysis." Thesis, Stellenbosch : Stellenbosch University, 2002. http://hdl.handle.net/10019.1/52933.

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Nickerson, David M. "Unique Reactivity Patterns of Enhanced Urea Catalysts." The Ohio State University, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=osu1395859006.

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Shaffer, Andrew Ronald. "Synthesis, reactivity, and catalysis of 3-iminophosphine palladium complexes /." Connect to full text in OhioLINK ETD Center, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1248288981.

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Thesis (Ph. D.)--University of Toledo, 2009.<br>Typescript. "Submitted as partial fulfillment of the requirements for the Doctor of Philosophy in Chemistry." Includes bibliographical references (leaves 183-217).

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Shaffer, Andrew R. "Synthesis, Reactivity, and Catalysis of 3-Iminophosphine Palladium Complexes." University of Toledo / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1248288981.

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Davenport, Adam James. "Oxazoline and imidazoline complexes : synthesis, reactivity and asymmetric catalysis." Thesis, University of Leicester, 2001. http://hdl.handle.net/2381/30054.

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Chapter One introduces chiral half-sandwich complexes, with emphasis on the stability of the configuration at the metal, the stereochemistry of substitution reactions at the metal and methods for studying these. This is followed by an overview of the chemistry of arene-ruthenium and Cp*-rhodium complexes in particular their complexes with chiral bidentate ligands. Chapter Two describes the synthesis and characterisation of chiral-at-metal complexes [MCl(R-phenmox)(ring)] (M = Rh, ring = Cp*; M = Ru, ring = arene) and various derivatives [RuL(R-phenmox)(arene)]n+ (L = py, 2-Me-py, 4-Me-py, PPh3, n = 1; L = Br, I, n = 0). The stereochemistry of substitution reactions of [Ru(OH2(iPr-pymox)(mes)[(SbF6)2, with X- and the kinetics of epimerisation of the products are reported. In the latter part of the chapter, the syntheses of new chiral imidazoline ligands, and half-sandwich complexes of these and of some Schiff-base ligands are described. Throughout the chapter X-ray diffraction (14 structures), variable temperature and 2-D NMR experiments have been used to examine the factors affecting the diaseteroselectivity and epimerisation of the complexes. Chapter Three describes attempts to make cyclometallated C, N-bonded phenyl-oxazoline half-sandwich complexes. Two cyclometallated tin complexes and a number of palladium derivatives are reported. Finally, the synthesis and X-ray structure of the first example of an arene ruthenium phenyl-oxazoline complex is described. Chapter Four provides a brief introduction to asymmetric catalysis particularly using half-sandwich complexes as Lewis acid catalysts. The complexes [Ru(OH2)(L)(arene)](SbF6)n (L = phenmox, pymim, ketimine) were found to be moderately efficient and enantioselective catalysts for the Diels-Alder reaction of acrylic dienophiles with simple dienes. Preliminary investigations of other Lewis-acid catalysed reactions including Hetero-Diels Alder, Mukaiyama Aldol and inverse electron-demand Hetero Diels-Alder are reported.

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Books on the topic "Reactivity and catalysis"

1

Jacques, Oudar, ed. Material concepts in surface reactivity and catalysis. Academic Press, 1990.

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Wise, Henry. Material concepts in surface reactivity and catalysis. Dover Publications, 2001.

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Wise, Henry. Material concepts in surface reactivity and catalysis. Academic Press, 1990.

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Wise, Henry. Material concepts in surface reactivity and catalysis. Dover Publications, 2001.

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Derouane, Eric G. Zeolite Microporous Solids: Synthesis, Structure, and Reactivity. Springer Netherlands, 1992.

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Elena, Soriano, José Marco-Contelles, and B. Alcaide. Computational mechanisms of Au and Pt catalyzed reactions. Springer, 2011.

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Catalytic reactors. Walter de Gruyter GmbH & Co., KG, 2016.

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Evans, R. L. Synthesis, characterisation and catalytic reactivity of pillared sodium trititanate. UMIST, 1994.

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Mu, Rentao. Construction and Reactivity of Pt-Based Bi-component Catalytic Systems. Springer Berlin Heidelberg, 2017. http://dx.doi.org/10.1007/978-3-662-55244-5.

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Material Concepts in Surface Reactivity and Catalysis. Elsevier, 1990. http://dx.doi.org/10.1016/b978-0-12-759940-3.x5001-9.

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Book chapters on the topic "Reactivity and catalysis"

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Luo, Zhixun, and Shiv N. Khanna. "Metal Cluster Catalysis." In Metal Clusters and Their Reactivity. Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-9704-6_13.

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Pidko, Evgeny A., and Rutger A. van Santen. "Theoretical Chemistry of Zeolite Reactivity." In Zeolites and Catalysis. Wiley-VCH Verlag GmbH & Co. KGaA, 2010. http://dx.doi.org/10.1002/9783527630295.ch11.

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Wells, Rapporteur P. B. "Session One, Catalytic Reactivity." In Elementary Reaction Steps in Heterogeneous Catalysis. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1693-0_8.

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Bordes, E. "Surface Reactivity of Oxides." In Elementary Reaction Steps in Heterogeneous Catalysis. Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1693-0_9.

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Punekar, N. S. "Chemical Reactivity and Molecular Interactions." In ENZYMES: Catalysis, Kinetics and Mechanisms. Springer Singapore, 2018. http://dx.doi.org/10.1007/978-981-13-0785-0_29.

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Dedieu, Alain. "Theoretical Treatment of Organometallic Reaction Mechanisms and Catalysis." In Organometallic Bonding and Reactivity. Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/3-540-69707-1_3.

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Boto, Roberto A., Tatiana Woller, Julia Contreras-García, and Israel Fernández. "CHAPTER 29. Analysis of Reactivity from the Noncovalent Interactions Perspective." In Catalysis Series. Royal Society of Chemistry, 2019. http://dx.doi.org/10.1039/9781788016490-00628.

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Lami, Alessandro. "Highly Excited Vibrational States and Chemical Reactivity." In The Enzyme Catalysis Process. Springer US, 1989. http://dx.doi.org/10.1007/978-1-4757-1607-8_24.

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Ángyán, János G., Drew Parsons, and Yannick Jeanvoine. "Ab Initio Simulations of Zeolite Reactivity." In Theoretical Aspects of Heterogeneous Catalysis. Springer Netherlands, 2001. http://dx.doi.org/10.1007/0-306-47667-3_4.

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Martí-Centelles, R., and B. Escuder. "Chapter 7. Catalysis at the Confined Interface of Supramolecular Gels." In Reactivity in Confined Spaces. Royal Society of Chemistry, 2021. http://dx.doi.org/10.1039/9781788019705-00206.

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Conference papers on the topic "Reactivity and catalysis"

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FREUND, HANS-JOACHIM. "STRUCTURE-REACTIVITY RELATIONS THROUGH CHARGE CONTROL AT THE ATOMIC LEVEL IN HETEROGENEOUS CATALYSIS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0015.

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Kim, Taegyu, Dae Hoon Lee, Cheonho Yoon, Dae-Eun Park, Sejin Kwon, and Euisik Yoon. "Preparation, Coating and Patterning of Cu-Based Catalyst for Methanol Steam Reforming by Micro Fuel Reformer." In ASME 2005 3rd International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2005. http://dx.doi.org/10.1115/fuelcell2005-74057.

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Recent increase in need for a portable power source drives research on micro fuel cell and micro fuel reformer as a key component of micro power generation system. Various concept of reforming system is proposed and has been studied. As an attempt to develop wafer based micro reforming system, preparation, coating, and patterning of Cu-based catalysts for methanol steam reforming for micro fuel reformer are presented. Preliminary step to develop MEMS based micro fuel reformer is carried. As a first step, Cu-based catalysts are prepared by co-precipitation method. The effect of precipitation condition on physical characteristics and catalytic activity of the catalyst such as particle size, conversion rate and quality of coating on substrate are reported. And then coating processes of prepared catalysts on glass and silicon wafer are developed. A uniform and robust catalyst layer is obtained. The amount of coated catalyst on unit area of wafer is measured to be 5∼8 mg/cm2, and the thickness of catalyst layer is about 50μm. By multiple coating processes, catalyst thickness can be controlled and up to 15mg/cm2 is obtained that has good reactivity. After then, patterning of coated catalyst layer is reported. Deposited catalyst layer is patterned by way of lift-off process of PVA (Poly-Vinyl Alcohol), organic sacrificial layer, by heating the substrate instead of etching a sacrificial layer. With the results aforementioned on catalyst preparation, coating, and patterning, a prototype micro catalytic reactor for micro fuel reformer is fabricated with MEMS technology. The fabrication process includes wet anisotropic etching of photosensitive glass wafer, coating/patterning of catalyst and bonding of layers. Next step that is challenging part of development of micro reformer is to find a way to overcome the effect of heat loss that lowers the conversion rate of reforming process and to achieve fast kinetics for reduction of the device scale. We are pursuing further optimization of structural design to improve conversion efficiency and to obtain fast kinetics.

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Fisher, Galen B., Craig L. DiMaggio, and John W. Sommers. "NOx Reactivity Studies of Prototype Catalysts for a Plasma–Catalyst Aftertreatment System." In International Fuels & Lubricants Meeting & Exposition. SAE International, 1999. http://dx.doi.org/10.4271/1999-01-3685.

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Bond, Gary, A. Halman, H. Eccles, et al. "A COMPARATIVE STUDY OF MICROWAVE AND BARRIER DISCHARGE PLASMA FOR THE REGENERATION OF SPENT ZEOLITE CATALYSTS." In Ampere 2019. Universitat Politècnica de València, 2019. http://dx.doi.org/10.4995/ampere2019.2019.9936.

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Due to their acid characteristics and pore structure, which can induce high product selectivity; zeolite catalysts are used extensively in industry to catalyse reactions involving hydrocarbons. However, these catalysts can suffer from deactivation due to cracking reactions that result in the deposition of carbon leading to poisoning of the acid sites and blocking of the pores [1]. Depending upon the reaction and the particular catalyst involved this deactivation may take place over several months or even years but in some cases occurs in minutes. Therefore, zeolite catalysts are frequently reactivated / regenerated. This generally involves a thermal treatment involving air which results in oxidation of the carbon [2]. However, the oxidation of carbon is highly exothermic, and if not carefully controlled, results in the generation of exceedingly high localized temperatures which can destroy the zeolite structure and result in subsequent loss of catalyst activity. More conservative thermal treatments can result in incomplete regeneration and again a catalyst displaying inferior activity. This paper explores the use of non-thermal plasma which had been either generated using microwaves or via a barrier discharge to regenerate spent zeolite catalysts. The catalyst, H-mordenite, was tested for the disproportionation of toluene (Figure 1) using conventional heating. The spent catalyst was then regenerated using a plasma or conventional thermal treatment before having its activity re-evaluated for the toluene disproportionation reaction as previous. Fig. 1. Reaction Scheme for Toluene Disproportionation. Interestingly, not only is plasma regeneration highly effective but also catalysts can be regenerated in greatly reduced times. There is an additional advantage in that plasma regeneration can impart physical properties that result in a zeolite that is resistant to further deactivation. However, the results are highly dependent upon the experimental conditions involved for plasma regeneration. References Wu J, Leu L., Appl. Catal., 1983; 7:283-294. M. Guisnet and P. Magnoux, Deactivation of Zeolites by Coking. Prevention of Deactivation and Regeneration. In: Zeolite Microporous Solids: Synthesis, Structure, and Reactivity. E.G. Derouane, F Lemos, C. Naccache, F. Ramôa Ribeiro, Eds. Pages 437-456. Springer 1992.

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Zhuang, Shiqiang, Xuan Shi, and Eon Soo Lee. "A Review on Non-PGM Cathode Catalysts for Polymer Electrolyte Membrane (PEM) Fuel Cell." In ASME 2015 13th International Conference on Fuel Cell Science, Engineering and Technology collocated with the ASME 2015 Power Conference, the ASME 2015 9th International Conference on Energy Sustainability, and the ASME 2015 Nuclear Forum. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/fuelcell2015-49602.

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In recent years, people attach high attention to the energy problem owing to the energy shortage of the world. Since the price of energy resources significantly increases, it is a necessary requirement to develop new alternative sources of energy to replace non-renewable energy resources. Polymer electrolyte membrane (PEM) fuel cell technology is one of the promising fields of clean and sustainable power, which is based on direct conversion of fuel into electricity. However, at the present moment PEM fuel cell is unable to be successful commercialization. The main factor is the high cost of materials in catalyst layer which is a core part of PEM fuel cell. In order to reduce the overall system cost, developing active, inexpensive non-platinum group metal (non-PGM) electrode catalysts to replace currently used Platinum (Pt)-based catalysts is a necessary and essential requirement. This paper reviews several important kinds of non-PGM electro-catalysts with different elements, such as nitrogen, transition metal, and metal organic frameworks (MOF). Among these catalysts, transition metal nitrogen-containing complexes supported on carbon materials (M-N/C) are considered the most potential oxidation reduction reaction (ORR) catalysts. The main synthetic methods are high temperature heat treating (800–1000°C). The mechanical and electrochemical properties of the final product will be analyzed by several characterization methods. For example, a RRDE test will be used to measure electron transfer number and ORR reactivity, which are the most important electrochemical properties of the new catalyst. And the morphology, particle size, crystal phase and specific surface area can be analyzed with SEM, TEM, XRD and BET methods. Although great improvement has been achieved in non-PGM catalyst area of research, there are still some challenges in both ORR activity and stability of non-PGM catalysts. Consequently, how to improve the ORR activity and stability are the major challenge of non-PGM catalyst research and development. Based on the results achieved in this area, our future research direction is also presented and discussed in this paper.

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VAN SANTEN, RUTGER A., CHONG LIU, EVGENY A. PIDKO, and EMIEL J. M. HENSEN. "CAN WE PREDICT THE REACTIVITY OF THE ZEOLITE CATALYST?" In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0022.

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Atibeh, Ehsan Abbasi, and Ahmet Yozgatligil. "Combustion Characteristics of Biomass Ash and Lignite Blend Under Oxy-Fuel Conditions." In ASME 2013 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/imece2013-65182.

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In this study an attempt was done to profoundly explore the pyrolysis and combustion behaviors and emission characteristics of lignite samples in O2/N2 and O2/CO2 (oxy-fuel conditions) ambients. A special focus was allocated to the effects of three inorganic materials, potassium (K), calcium (Ca) and iron (Fe) on combustion characteristics of Turkish lignite using non-isothermal Thermo-gravimetric Analysis (TGA) technique combined with Fourier Transform Infrared (FTIR) spectroscopy and the effects of ambient gases and various oxygen mole fractions were considered. Eventually the co-processing combustion tests of lignite and the ash contents of different biomass fuels were investigated and the possible way of using biomass as a potential source of inexpensive catalysts in combustion processes were discussed. Co-processing combustion tests of lignite and biomass ash contents indicated that the hazelnut shell and walnut shell ash contents were significantly effective in increasing the char reactivity of lignite due to high concentration of potassium based oxides during combustion tests carried out in both air and 30% O2 in CO2 ambients. Furthermore the catalytic reactivity of wheat straw and cattle manure ash contents were observed in the second region of combustion regarding volatile matter release and combustion in both air and 30% O2 in CO2 ambients. These results are thought to be due to high concentrations of Alkali and Alkaline earth metals existed in the impregnated lignite samples with wheat straw and cattle manure ash contents and especially Na-based oxides in the cattle manure form. Finally in the case of lignite sample impregnated with saw dust ash content, it was observed that the impregnated lignite was significantly more reactive in devolatalization process in 30% O2 in CO2 ambients. These results revealed that the ash contents of walnut and hazelnut shell biomass fuels can be used as a potential source of inexpensive K-based catalysts in the co-processing of coal and biomass ash. Furthermore high concentrations of Alkali and Alkaline earth metals existed in the ash contents of biomass fuels like wheat straw, cattle manure and saw dust can make them suitable sources of inexpensive catalysts and develop a step forward in economic aspects of catalytic coal combustion.

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Zheng, Dezhi, Bin Wu, Jeff Fleitz, Robert Trajkovski, and Chenn Q. Zhou. "CFD Simulation of a Hydrogen Reformer Furnace." In 2010 14th International Heat Transfer Conference. ASMEDC, 2010. http://dx.doi.org/10.1115/ihtc14-23121.

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A hydrogen reformer furnace is a combustion chamber which is used to supply heat for the catalytic process that converts natural gas into hydrogen. The reforming reaction that happens inside the catalyst tubes is endothermic, requiring high levels of heat input. The combustion process in the hydrogen reformer furnace provides the heat to maintain the chemical reaction inside the catalyst tubes. Temperature control of the catalyst tubes is a fundamental design requirement of the hydrogen reformer furnace, as the temperature should be maintained in the range which could maximize catalyst reactivity while minimizing any damage to the catalyst pipes. As the furnace has two complicated chemical systems, the heat effect inside the tubes has been simplified by estimating the heat flux based on industry operation. Utilizing the multiphase and non-premixed combustion model using CFD (Computational Fluid Dynamic), the temperature and velocity distribution in the hydrogen reformer furnace have been investigated. Results show that parts of the catalyst tubes are overheated causing hot spots which could lead to premature aging of the pipes. Both the location of burners and maldistribution of the hot flue gas have a great impact on this issue.

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SANFORD, MELANIE. "CONTROLLING SELECTIVITY AND REACTIVITY IN CATALYTIC C–H FUNCTIONALIZATION REACTIONS." In 24th International Solvay Conference on Chemistry. WORLD SCIENTIFIC, 2018. http://dx.doi.org/10.1142/9789813237179_0003.

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Yamamoto, Osami, Tatsuya Okayama, Zhiwei Zhang, and John Tolsma. "Numerical Modeling Study of Catalyst Surface Reactivity and Gas Diffusivity with Lean NOx Catalyst." In SAE 2015 World Congress & Exhibition. SAE International, 2015. http://dx.doi.org/10.4271/2015-01-1058.

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Reports on the topic "Reactivity and catalysis"

1

Madey, T. E. Structure and reactivity of model thin film catalysts. Office of Scientific and Technical Information (OSTI), 1989. http://dx.doi.org/10.2172/7168433.

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2

Linehan, J. C., D. W. Matson, J. L. Fulton, R. M. Bean, and J. G. Darab. Synthesis and reactivity of ultra-fine coal liquefaction catalysts. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/10110058.

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Vook, R. The catalytic reactivity of thin film crystal surfaces. Office of Scientific and Technical Information (OSTI), 1990. http://dx.doi.org/10.2172/7173389.

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Erlebacher, Jonah. Control of Reactivity in Nanoporous Metal/Ionic Liquid Composite Catalysts. Office of Scientific and Technical Information (OSTI), 2018. http://dx.doi.org/10.2172/1572166.

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Roldan-Cuenya, Beatriz, H. Mistry, and Y. Choi. Nanocatalysis: Size- and Shape-dependent Chemisorption and Catalytic Reactivity. Office of Scientific and Technical Information (OSTI), 2017. http://dx.doi.org/10.2172/1485534.

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Pindwal, Aradhana. Lanthanide alkyl and silyl compounds: Synthesis, reactivity and catalysts for green. Office of Scientific and Technical Information (OSTI), 2016. http://dx.doi.org/10.2172/1342556.

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Altman, Eric I. Structure-Reactivity Relationships in Multi-Component Transition Metal Oxide Catalysts FINAL Report. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1222647.

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Scheele, R. D., S. A. Bryan, J. W. Johnston, J. M. Tingey, L. L. Burger, and R. T. Hallen. Hanford ferrocyanide waste chemistry and reactivity preliminary catalyst and initiator screening studies. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/10146358.

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Scheele, R. D., S. A. Bryan, J. W. Johnston, J. M. Tingey, L. L. Burger, and R. T. Hallen. Hanford ferrocyanide waste chemistry and reactivity preliminary catalyst and initiator screening studies. Office of Scientific and Technical Information (OSTI), 1992. http://dx.doi.org/10.2172/5353966.

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Song, C., A. K. Saini, K. Wenzel, L. Huang, P. G. Hatcher, and H. H. Schobert. Effects of low-temperature catalytic pretreatments on coal structure and reactivity in liquefaction. Office of Scientific and Technical Information (OSTI), 1993. http://dx.doi.org/10.2172/6765242.

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