Reaction kinetics and the development and operation of catalytic processes : proceedings of the 3rd international symposium, Oostende (Belgium), April 22-25, 2001

Reaction Kinetics and the Development and Operation of Catalytic Processes is a trendsetter. The Keynote Lectures have been authored by top scientists and cover a broad range of topics like fundamental aspects of surface chemistry, in particular dynamics and spillover, the modeling of reaction mechanisms, with special focus on the importance of transient experimentation and the application of kinetics in reactor design. Fundamental and applied kinetic studies are well represented. More than half of these deal with transient kinetics, a new trend made possible by recent sophisticated experimental equipment and the awareness that transient experimentation provides more information and insight into the microphenomena occurring on the catalyst surface than steady state techniques. The trend is not limited to purely kinetic studies since the great majority of the papers dealing with reactors also focus on transients and even deliberate transient operation. It is to be expected that this trend will continue and amplify as the community becomes more aware of the predictive potential of fundamental kinetics when combined with detailed realistic modeling of the reactor operation. Content: Introduction Page xiii G.F. Froment, K.C. Waugh Adventures in Catalytic Nanospace: ‘Seeing’ spillover in-situ for thefirst time Original Research Article Pages 3-17 Michael Bowker, Roger A. Bennett, Amanda Dickinson, David James, Rupert D. Smith, Peter Stone From first-principles to catalytic turnovers: Ethylene hydrogenation overpalladium Original Research Article Pages 19-40 Matthew Neurock, Eric Hansen, Donghai Mei, Pallassana S. Venkataraman Development of microkinetic expressions by instationary methods Original Research Article Pages 41-55 Frerich J. Keil Self sustained oscillations over copper in the catalyticoxidation of methanol Original Research Article Pages 57-70 I. Böttger, B. Pettinger, Th. Schedel-Niedrig, A. Knop-Gericke, R. Schlögl Novel reactor configurations and modes of operation Original Research Article Pages 71-85 Dan Luss New methodologies and reactors for catalytic process development Original Research Article Pages 87-101 M.P. Harold, P.L. Mills, J.F. Nicole Hysteresis kinetics of propene oxidation characterized bya Ag-Re supported membrane reactor Original Research Article Pages 105-112 Masayoshi Kobayashi, Tohru Kanno, Jun-ichi Horiuchi, Shigeyuki Hoshi, Noritaka Hattori, Junya Togawa Kinetics of oxidative dehydrogenation ofLPG to olefins on Dy-Li-CI-Zr-O catalyst Original Research Article Pages 113-121 M.L. Kaliya, O.V. Malinovskaya, M.V. Landau, M. Herskowitz, P.F. van den Oosterkamp(xab) De Donder relations and the theory of reaction routes Original Research Article Pages 123-130 Ilie Fishtik, Ravindra Datta A kinetic study of NO reduction by CO over a NiO/Al 2 O 3 catalyst Original Research Article Pages 131-138 T.N. Angelidis, M. Papapetrou Reaction kinetics of the hydrodenitrogenation of methylcyclohexylamine over fluorinated NiMoS/Al 2 O 3 catalysts Original Research Article Pages 139-146 Lianglong Qu, Roel Prins Use of the “dusty-gas” model for the analysis of ethylbenzene oxidehydrogenation process Original Research Article Pages 147-154 D. Ardissone, A. Bachiller, J. Orejas Using low melting point alloy intrusion to quantify pore structure:Studies on an alumina catalyst support Original Research Article Pages 155-162 L. Ruffino, R. Mann, R.J. Oldman, S. Rigby, S. Allen Mass and heat transfer effects in the kinetic modelling of catalytic cracking Original Research Article Pages 165-171 P. Hagelberg, V. Alopaeus, K. Lipiäinen, J. Aittama, A.O.L. Krause Kinetics of ethylene polymerisation over cry zeolites Original Research Article Pages 173-180 Y. Zhang, X. Wang, M.A.N.D.A. Lemos, F. Lemos, R.T. Henriques, M.M. Marques Investigations of the selective partial oxidation of methanol and theoxidative coupling of methane over copper catalysts Original Research Article Pages 181-187 H.-J. Wölk, G. Weinberg, G. Mestl, R. Schlögl A new kinetic model for hydrodesurfurization of oil products Original Research Article Pages 189-194 T. Mejdell, R. Myrstad, J. Morud, J.S. Rosvoll, P. Steiner, E.A. Blekkan Low-temperature, carbon-catalyzed, solvent-washed, trickle-bed sulfuricacid process Original Research Article Pages 195-203 Peter L. Silveston, Mahiyar A. Panthaky, Kirk Duval, Radu V. Vladea, Ali Lohi, Robert R. Hudgins Butane oxidation to maleic anhydride over a VPO catalyst following theriser regenerator approach Original Research Article Pages 205-210 St. Hess, H. Freund, M.A. Liauw, G. Emig Effects of particle size and modified SAPO-34 on conversion ofmethanol to light olefins and dimethyl ether Original Research Article Pages 211-218 Michael G. Abraha, Xianchun Wu, Rayford G. Anthony From DFT calculations to DynamicMonte Carlo simulations. The reactivity of CH x on the Ru(0001) surface Original Research Article Pages 221-228 I.M. Ciobîcą, F. Frechard, A.P.J. Jansen, R.A. van Santen Non-steady state operation of trickle-bed reactors Original Research Article Pages 231-238 J.G. Boelhouwer, H.W. Piepers, A.A.H. Drinkenburg Performance enhancement of a microchannel reactor under periodic operation Original Research Article Pages 239-246 André Rouge, Albert Renken A dynamic study of steam-methane reforming Original Research Article Pages 247-254 M.A. El-Bousiffi, D.J. Gunn Model-based optimization of the periodic operation of the Fischer-Tropschsynthesis Original Research Article Pages 255-262 R.M. de Deugd, S.M. Ypma, F. Kapteijn, F.M. Meeuse, J.A. Moulijn, P.J.T. Verheijen Direct determination of periodic states of cyclically operated packed bedreactors Original Research Article Pages 263-270 T.L. van Noorden, S.M. Verduyn Lunel, A. Bliek Dynamics and control of a radial-flow ammonia synthesis reactor Original Research Article Pages 271-279 N.S. Schbib, M.N. Pedernera, D.O. Borio Mass transfer through the gas-liquid interface at the presence of adsorbedactive phospholipid monolayer Original Research Article Pages 283-288 L. Gradoń, T.R. Sosnowski Oxygenates and olefins from catalytic partial oxidationof cyclohexane and n -hexane in single-gauze chemical reactors Original Research Article Pages 289-296 Ryan P. O'Connor, Lanny D. Schmidt Mechanistic studies of hydroxyl radical-induced catalytic wet oxidation ofdyehouse effluents at atmospheric pressure Original Research Article Pages 297-302 Dong-Keun Lee, Dul-Sun Kim, Sung-Chul Kim Reaction pathways of photocatalytic oxidation of PCE in water with theTiO 2 film on glass Original Research Article Pages 303-308 Dong-Keun Lee, In-Cheol Cho Liquid phase hydrogenation of naphthalene on Ni/Al 2 O 3 Original Research Article Pages 309-316 P.A. Rautanen, M.S. Lylykangas, J.R. Aittamaa, A.O.I. Krause Effect of NO and oxygen upon the deactivation of Cu-ZSM-5 in NOdecomposition Original Research Article Pages 317-324 V.I. Pârvulescu, E. Segal, B. Delmon, P. Grange Non steady-state production of hydrogen from natural gas: Experiments and modeling Original Research Article Pages 327-332 E. Odier, Y. Schuurman, H. Zanthoff, C. Millet, C. Mirodatos Dynamic study of methane interaction with active sites involved in thetotal oxidation of methane over Pd/Al 2 O 3 catalyst Original Research Article Pages 333-340 S. Fessi, A. Ghorbel, A. Rives, R. Hubaut A non-stationary kinetics approach for the determination of the kineticparameters of the protolytic cracking of methylcyclohexane Original Research Article Pages 341-348 V. Fierro, J.L. Duplan, J. Verstraete, Y. Schuurman, C. Mirodatos Kinetic modelling of transient NO reduction by CO in the presence of 0 2 over an automotive exhaust gas catalyst Original Research Article Pages 349-356 J.M.A. Harmsen, J.H.B.J. Hoebink, J.C. Schouten Transient kinetics of 15 NO-decomposition on Pt/Al 2 O 3 Original Research Article Pages 357-364 A.R. Vaccaro, G. Mul, J.A. Moulijn Transient kinetics of the propene oxidation over silver catalysts Original Research Article Pages 365-372 A. Zwijnenburg, M. Boer, G. Mul, M. Makkee, J.A. Moulijn 129 Xe NMR of adsorbed xenon and 1 H NMR) imaging: new methods to study the diffusion of gaseous hydrocarbons in a fixed bed of zeolite Original Research Article Pages 375-382 P. N'Gokoli-Kekele, M.-A. Springer-Huet, J.-L. Bonardet, J.-M. Dereppe, J. Fraissard Catalytic activity of carbon nanotubes and other carbon materials foroxidative dehydrogenation of ethylbenzene to styrene Original Research Article Pages 383-389 N. Maksimova, G. Mestl, R. Schlögl Heterogeneous catalysis at high temperature for spaceapplications Original Research Article Pages 391-398 M. Balat-Pichelin, J.M. Badie Catalyst design for reactions with synthesis gas Original Research Article Pages 399-407 G.P. Valença, E.S. Gonçalves Enhancement of non isothermal autocatalytic reactions by intraparticlediffusion Original Research Article Pages 411-417 M. Grzesik, J. Skrzypek An adsorptive reactor for operation of exothermic seriesreactions Original Research Article Pages 419-426 A.J. Kodde, A. Bliek Catalytic activity and characterization of quaternaryammonium(methylstyrene-co-styrene) resin in an organic solvent/alkaline solution Original Research Article Pages 429-433 Ho-Shing Wu, Chun-Shen Lee Catalyst development for methanol and dimethyl ether production fromblast furnace off gas Original Research Article Pages 435-443 Jun-ichiro Yagi, Tomohiro Akiyama, Atsushi Muramatsu Heterogeneous photo- and thermal catalytic oxidation of co: effects ofmetal deposition Original Research Article Pages 445-451 I. Ozen, D. Uner Harmonization of the empirical information on the de-NO x catalysts for thecomparison of the catalyst performance through reaction modeling Original Research Article Pages 453-458 D. Uner, S. Kaya Synthesis of Cumene (Isopropylbenzene) from Diisopropylbenzenes in thepresence of Benzene using Triflic acid as catalyst at room temperature Original Research Article Pages 459-464 M.C. Al-Kinany, S.H. Al-Khowaiter, F.H. Al-Malki Diffusion analysis of cumene cracking over ZSM5 using a jetloop reactor Original Research Article Pages 465-470 P. Schwan, P.J. Henry, K.P. Möller Simulation of the effect of mass transfer limitations in complex gas-liquidreactions Original Research Article Pages 471-476 M. Pisu, A. Cincotti, G. Cao, F. Pepe Evaluation of external diffusional effects in a microreactor for SRGOhydrotreating Original Research Article Pages 477-480 L.C. Castañeda-López, F. Alonso-Martínez, J. Ancheyta-Juárez A study of a phase transfer catalytic reaction between n -butylbromide and sodium phenolate in an oscillatory baffled reactor Original Research Article Pages 481-487 B. Wilson, X. Ni, D.C. Sherrington Kinetics of the main and side reactions of the methanoloxidation over iron molybdates Original Research Article Pages 489-494 A.P. Vieira Soares, M. Farinha Portela, A. Kiennemann Mechanistic investigations of oxidation of purineand pyrimidine base components of nucleic acids by bromamine-b in aqueous alkaline medium : a kinetic approach Original Research Article Pages 495-500 Nirmala Vaz, Puttaswamy Activity-acidity relationships in solid acid catalysis — a quantumchemical study Original Research Article Pages 501-506 X. Wang, M.A.N.D.A. Lemos, F. Lemos, F. Ramôa Ribeiro Catalytic reactions mechanisms with somenonlinear conservation laws Original Research Article Pages 507-508 E.S. Patmar, N.I. Koltsov Modelling diffusion, cracking reactions and deactivation in FCC Catalysts Original Research Article Pages 509-514 F. López-Isunza, N. Moreno-Montiel, R. Quintana-Solórzano, J.C. Moreno-Mayorga, F. Hernández-Beltrán Oxidehyrogenation of ethylbenzene to styrene on P-O-Ni-Mn/Alumina catalysts Original Research Article Pages 515-520 D. Ardissone, A. Bachiller, M. Ponzi, J. Orejas Hydrodechlorination of chlorobenzene-tetrachloroethylenemixtures over a Pd/Al 2 O 3 catalyst Original Research Article Pages 521-526 E. López, S. Ordóñez, F.V. Díez, H. Sastre Kinetic study of the liquid-phase hydrogenation of 1,3-butadiene and n-buteneson a commercial Pd/Al 2 O 3 catalyst Original Research Article Pages 527-534 N.O. Ardiaca, S.P. Bressa, J.A. Alves, O.M. Martínez, G.F. Barreto Kinetics and mechanism of Ruthenium(III) andOsmium(VIII) catalyzed oxidation of dopamine with broiviamine-B in acid and alkaline media Original Research Article Pages 535-540 Puttaswamy, Nirmala Vaz Kinetic models for esterification of methacrylic acid using n-propanol andisopropanol Original Research Article Pages 541-545 M. Grzesik, J. Skrzypek, M. Witczak Kinetics models for esterification of levulinic acid with 2-ethylhexanolusing different catalysts Original Research Article Pages 547-551 M. Grzesik, T. Gumula Time Resolution of the TAP reactor Original Research Article Pages 553-557 Dezheng Wang, Zhonglai Li A novel catalyst preparation and kinetic study on the dechlorination ofchlorinated hydrocarbons Original Research Article Pages 559-564 Young Sung Cho, Jong-Chul Park, Byung-Seok Choi, Jungwoo Moon, Jongheop Yi Kinetics of copolyesters of poly(butyleneterephthalate), hydroquinone diacetate and terephthalic acid: A simple rate model for catalysed synthesis in melt Original Research Article Pages 565-574 Amir Al-Haddad, Johnson Mathew Catalytic oxidation of sulfite/bisulfite in a falling-film absorptioncolumn Original Research Article Pages 575-580 M. Vorbach, R. Marr, M. Siebenhofer Influence of fluorination on the kinetics of the HDN of o-toluidine overtungsten sulfide catalysts ex ammonium tetrathiotungstate Original Research Article Pages 581-586 Mingyong Sun, Roel Prins Kinetics of the hydrodenitrogenation of cyclohexylamineover sulfided NiMo/γ-Al 2 O 3 Original Research Article Pages 587-592 Fabio Rota, Roel Prins H 2 -TPR kinetics; Case study on the reduction of a CrO x /Al 2 O 3 catalyst Original Research Article Pages 593-598 J.M. Kanervo, A.O.I. Krause Kinetic study of methane combustion over La 0,9 Ce 0,1 CoO 3 Original Research Article Pages 599-604 R. Auer, L. Warnier, F.C. Thyrion Theoretical determination of the kinetic parameters of a reactionintermediate by degeneration of the precursor process Original Research Article Pages 605-609 M. Elkhatib, C. Duriche, R. Metz, J.R. Vignalou, H. Delalu An easy methodology for estimating kinetic constants in complex kineticmodels Original Research Article Pages 611-614 J. Ancheyta-Juárez, R. Sotelo-Boyás Experimental validation of a kinetic model for naphtha reforming Original Research Article Pages 615-618 J. Ancheyta-Juárez, E. Villafuerte-Macías Kinetic analysis of enzymatic esterification of fatty acids and ethanol Original Research Article Pages 619-624 V.U. Miguel, G.C. Trubiano, G. Perez, D.O. Borio, A.F. Errazu Catalytic combustion of methane over Pd/γ-Al 2 O 3 in a monolithic reactor:kinetic study Original Research Article Pages 625-630 Eduardo López, Carlos Gígola, Daniel O. Borio, Verónica Bucalá Software functionality assessment for kinetic reactionmodel development, model discrimination, parameter estimation and design of experiments Original Research Article Pages 631-636 Rob J. Berger, Johan Hoorn, Jan Verstraete, Jan Willem Verwijs Author index Pages 637-639