Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis book cover

Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis

Many processes of the chemical industry are based upon heterogeneous catalysis. Two important items of these processes are the development of the catalyst itself and the design and optimization of the reactor. Both aspects would benefit from rigorous and accurate kinetic modeling, based upon information on the working catalyst gained from classical steady state experimentation, but also from studies using surface science techniques, from quantum chemical calculations providing more insight into possible reaction pathways and from transient experimentation dealing with reactions and reactors. This information is seldom combined into a kinetic model and into a quantitative description of the process. Generally the catalytic aspects are dealt with by chemists and by physicists, while the chemical engineers are called upon for mechanical aspects of the reactor design and its control. The symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis" aims at illustrating a more global and concerted approach through a number of prestigious keynote lectures and severely screened oral and poster presentations.

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Published: September 1997

Imprint: Elsevier

ISBN: 978-0-444-82609-1

Reviews

  • The keynote lectures and oral presentations provide a good mix of the role of surface science in studying catalysis with discussions of real catalyst systems, transient phenomena and relevant aspects of chemical engineering.
    ASLIB Book Guide

Contents

  • Preface. Keynote Lectures. Catalytic surface reaction pathways and energetics from first principles (M. Neurock). Molecular studies of the mobility of surface metal atoms and adsorbates during catalytic reactions (G.A. Somorjai, G. Rupprechter). Molecular kinetics of heterogeneous catalytic reactions (R.A. van Santen et al.). From supersonic beams and single crystal microcalorimetry to the control of catalytic reactions (D.A. King). Dynamic phenomena at the oxide/water interface: the interplay of surface charge formation, metal complex adsorption, and dissolution/reprecipitation (J.-F. Lambert, M. Che). The influence of oxygen poisoning on a multiply promoted iron catalyst used for ammonia synthesis: a temperature-programmed desorption and reaction study (F. Rosowski, M. Muhler). Importance of dynamics in real catalyst systems (H. Topsøe et al.). Reaction kinetics as a basis for optimal transient operation of catalytic reactors (Y.Sh. Matros et al.). Oral Communications. Theoretical and Experimental Studies on the Dynamics of Surfaces. A probabilistic model for the deactivation of a dual function catalyst by coke formation accounting for reaction and surface migration (S. Singh, G.F. Froment). Self-sustained isothermal oscillations in N2O decomposition on Cu overexchanged ZSM-5 (P. Ciambelli et al.). Adsorption characteristics of pyridine bases on zeolite (010) examined by atomic force microscopy (AFM) (M. Komiyama). Transient and steady-state studies of the effect of water on cobalt Fischer-Tropsch catalysts (K.F. Hanssen et al.). Modelling of the dynamics of complex catalytic phenomena based on surface mobility processes and the remote control mechanism (P. Ruiz et al.). Adsorption and reactions of methane on ferric molybdate using DRIFTS technique (S. Fuangfoo et al.). Dynamics of multi-component adsorption with interactions: a mean - field approach (M. Dubel, S.D. Prasad). Models of adsorption kinetics on rough surfaces (M. Giona, A. Adrover). Investigation of the structure sensitivity of nitrogen adsorption on single crystal ruthenium clusters using density functional theory (D.J. Dooling, L.J. Broadbelt). Catalysis and Kinetics. Oxydehydrogenation of propane on NiMoO4 catalyst under transient and steady-state conditions (S. Pietrzyk et al.). Catalytic ignition during methane oxidation on platinum: experiments and modelling (G. Veser et al.). Modelling catalytic cracking kinetics using estimated adsorption equilibrium constants (B. Sowerby, S.J. Becker). Model discrimination for reactions with stop-effect (S. Golay et al.). Methanol oxidation over supported vanadium oxide catalysts: new fundamental insights about oxidation reactions over metal oxide catalysts from transient and steady state kinetics (I.E. Wachs et al.). The effects of alkali promoters on the dynamics of hydrogen chemisorption and syngas reaction kinetics on Ru/SiO2 surfaces (D.O. Uner et al.). Interparticle migration of hydrogen on zeolite and their participation in the hydrogenation of adsorbed species and catalytic reaction (I. Nakamura et al.). "State-defining" TAP pulse response experiments (J.T. Gleaves et al.). Transient and steady-state microkinetic models of catalytic reactions on nonuniform surfaces (L.J. Broadbent, J.E. Rekoske). Transient kinetics of methane dehydrogenation and aromatisation: experiments and modelling (Y. Schuurman et al.). The desorption of CO2 from the surface as a kinetically relevant step in the CO oxidation reaction over platinum (T.A. Nijhuis et al.). Non-linear steady-state kinetics of complex catalytic reactions: theory and applications (G.S. Yablonskii, M.Z. Lazman). Neural network based model of the kinetics of catalytic hydrogenation reactions (E.J. Molga, K.R. Westerterp). Microkinetic analysis of temperature-programmed experiments in a microreactor flow system (O. Hinrichsen et al.). A microkinetic analysis of the reverse water gas shift reaction (E. Tserpe, K.C. Waugh). Transient Operation of Reactions and Reactors. Selectivity enhancement in consecutive reactions using the pressure swing reactor (A.J. Kodde, A. Bliek). Experimental studies of transient thermal effects during catalytic oxidation in a packed-bed reactor (S. Marengo et al.). Dynamic operation of trickle bed reactors (H.W. Piepers, A.A.H. Drinkenburg). Simulation of a catalytic converter of automotive exhaust gas under dynamic conditions (A.J.L. Nievergeld et al.). Effect of variables on the periodic operation of a trickle bed reactor (L. Gabarain et al.). Oxidative coupling of toluene under periodic conditions on Pb/Li/MgO: a selective pathway to 1,2-diphenylethane (S. Dubuis et al.). Reduction-oxidation-cycling in a fixed bed reactor with periodic flow reversal (H. Seiler, G. Emig). Posters. Ether decomposition activity of CaNi5 hydrogen storage alloy (H. Imai et al.). Chemical kinetics of a two component phase segregated system. A simple rate model (A.A. Al-Haddad, J. Mathew). Influence of some phenomena occurring on the surface and in the active phase of the vanadium catalyst on the reactor dynamics (K. Gosiewski). A detailed kinetic model for the hydrogenolysis, isomerization and dehydrogenation of n-butane (I. Machín et al.). Limitation of metal particle size to carbon chain growth in Fischer-Tropsch synthesis (Y. Yang et al.). Network simulation of catalytic cracking reactions (C.I.C. Pinheiro et al.). Non-catalytic carbon gasification modelling (I. Santos Silva et al.). Effect of solubility parameter on the MTBE synthesis kinetics (C. Fité et al.). Hydrogen spillover effect over the oxide surfaces in supported nickel catalysts (V. Almasan et al.). Transient investigation of the catalytic activity of copper in NO decomposition over Cu-ZSM5 (R. Pirone et al.). Thermodynamic transition-state theory and extrathermodynamic correlations for the liquid-phase kinetics of ethanol derived ethers (R. Datta et al.). Hydrodemetallation kinetics of residual petroleum fractions (M.T. Martínez et al.). Development of a computational tool for the transient kinetics of complex chemical heterogeneous reaction systems (G.A. Carrillo Le Roux et al.). Methods of elimination and the problem of nonuniqueness of inverse problem solutions in models of non-stationary chemical kinetics (S.I. Spivak, R.M. Asadullin). Authors' Index.

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