Search results for "Surface reaction"
showing 10 items of 10 documents
Temptative Modeling of Surface Reactivity with Oxidizing-Reducing Mixtures on Rutile TiO2-δ
1989
Rutile bears some unique features in regard to oxygen transfer with the outer atmosphere, at high temperatures. It possesses very high chemical diffusivity. This diffusivity becomes apparent while performing reequilibration experiments in a final atmosphere of pure oxygen. Conversely, the oxidizing-reducing reaction with CO/CO2 mixtures at the rutile surface is always a slow process.
ChemInform Abstract: On-Surface Reactions
2015
Oscillatory Reactions in Heterogeneous Catalysis
1993
Publisher Summary This chapter focuses on the oscillatory reactions in heterogeneous catalysis. Oscillations are possible on all levels in a catalytic reactor, from the single-crystal plane to the crystallite to the catalyst pellet to the packed-bed reactor, and each level adds another degree of complexity. So, it is necessary to isolate the major influences at each level and to separate the characteristics of the oscillations on one level from the effects caused by coupling with other levels. Only when each level is well understood is it possible to fully understand the overall oscillatory behavior. Oscillations in heterogeneous catalysis, therefore, remain an intriguing and demanding prob…
The influence of the solvent's mass on the location of the dividing surface for a model Hamiltonian
2019
The Transition State dividing surface is a key concept, not only for the precise calculation of the rate constant of a reaction, but also for the proper prediction of product ratios. The correct location of this surface is defined by the requirement that reactive trajectories do not recross it. In the case of reactions in solution the solvent plays an important role in the location of the dividing surface. In this paper we show with the aid of a model Hamiltonian that the effective mass of the solvent can dramatically change the location of the dividing surface. Keywords: Dynamical systems, Dividing surface, Reactions in solution, 2019 MSC: 00-01, 99-00
Oscillation Phenomena Leading to Chaos in a Stochastic Surface Reaction Model
1998
A microscopic lattice gas model for the $\mathrm{CO}+\mathrm{NO}$ reaction on Pt(100) is studied by means of Monte Carlo simulations. It shows different kinetical phenomena such as steady state reaction, damped, regular, and irregular oscillations, as well as a transition into chaotical behavior via the Feigenbaum route. Because of its small number of parameters, each with a specific physical meaning, it enables the investigation of the whole parameter regime leading to a deeper insight to the mechanisms which create the oscillations and chaotical behavior.
A Lotka-type model for oscillations in surface reactions
1997
In this paper we introduce a reaction model on a lattice which leads to oscillations. The model consists of two monomolecular and one bimolecular reaction step and is related to the Lotka model. Despite the simple evolution rules, the model shows a complex behaviour (i.e. the appearance of oscillations). This offers us the opportunity to test different types of stochastic approximations and compare them with the results of a Monte Carlo simulation. The simulation is performed on a large lattice (L = 1024) in order to take long-range correlations into account. Comparing the results of this simulation with the stochastic approaches shows that only advanced numerical approximations are able to…
Surface and bulk changes of a Pt 1%/Ce0.6Zr0.4O2 catalyst during CO oxidation in the absence of O2
2004
The reduction of a Pt 1%/Ce0.6Zr0.4O2 catalyst by CO in the absence of gaseous oxygen was studied by transient reactivity tests, temperature programmed surface reaction with CO, flow thermogravimetric tests and DRIFTS experiments, in order to obtain information generally on the OSC properties and, specifically, on the mechanism of CO oxidation over both, Pt catalyst and support-only sample (Ce0.6Zr0.4O2). The results of thermogravimetric experiments showed the presence of an induction time in the weight change % of the catalyst, depending on the CO concentration in the gas flow. This induction time could be related to the presence of two oxygen reactive sites. The first one leads to strongl…
Suivi par diffraction de rayons X “in situ” de l'évolution du paramètre de maille du ferrite nanométrique γ-Fe2O3lors de l'isotherme d'adsorption d'e…
2002
La methode de synthese par chimie douce a ete utilisee pour synthetiser des nanoparticules de maghemite γ-Fe 2 O 3 dans une gamme de taille allant de 9 a 14 nm. Ces poudres, parfaitement cristallisees en phase spinelle, exemptes d'impuretes, avec une stoechiometrie en oxygene parfaitement controlee, ont servi de materiaux modeles pour cette etude. Le parametre de maille de ce materiau (0,8346 nm) s'avere etre non dependant de la taille. Cependant, le suivi en Diffraction de Rayons X in-situ revele des variations de ce parametre avec la modification de la surface en presence de vapeur d'eau. Les phenomenes de chimisorption et de physisorption jouent un role preponderant dans les evolutions o…
On-Surface Reactions
2015
On-surface synthesis constitutes a rapidly growing field of research due to its promising application for creating stable molecular structures on surfaces. While self-assembled structures rely on reversible interactions, on-surface synthesis provides the potential for creating long-term stable structures with well-controlled properties, for example superior electron transport for future molecular electronic devices. On-surface synthesis holds the promise for preparing insoluble compounds that cannot be produced in solution. Another highly exciting aspect of on-surface synthesis is the chance to discover new reaction pathways due to the two-dimensional confinement of the reaction educts. In …