Reaction Kinetics and the Development of Catalytic Processes (eBook)

Front Cover 1
REACTION KINETICS AND THE DEVELOPMENT OF CATALYTIC PROCESSES 4
Copyright Page 5
CONTENTS 6
Preface 12
PART I: KEYNOTES 14
Chapter 1. Catalysis from first principles 16
Chapter 2. Complexities and dynamics of the enantioselective active site in heterogeneous catalysis 24
Chapter 3. Intrinsic activities and pore diffusion effect in hydrocarbon cracking in steamed Y zeolite 36
Chapter 4. Internal Reforming in Solid Oxide Fuel Cells 48
Chapter 5. Microchemical reactors for heterogeneously catalyzed reactions 60
PART II: TRANSIENT STUDIES 76
Chapter 6. Novel frequency response techniques for the study of kinetics in heterogeneous catalysis 78
Chapter 7. Reactivity of novel metal substituted heteropolyacid catalysts using steady-state and transient response kinetics 86
Chapter 8. Use of isotopic transient methods for mechanistic analysis of ethylene hydroformylation over 4 wt% Rh/SiO2 catalyst 96
Chapter 9. CO oxidation over a supported Pt catalyst: transient kinetics using temporal analysis of products (TAP) 106
Chapter 10. Transient kinetics of ethylene and carbon monoxide oxidation for automotive exhaust gas catalysis: experiments and modeling. 114
Chapter 11. Dynamics of NO adsorption and transformation over supported Pt catalysts for the treatment of lean burn engine emissions 122
Chapter 12. Effect of catalyst deactivation on the dynamics of cyclic reactive processes 130
Chapter 13. Propyne Hydrogenation over a silica-supported platinum catalyst studied transient conditions 138
Chapter 14. A TAP reactor investigation of the oxidative dehydrogenation of propane over a V/MgO catalyst: experiment and modeling 146
Chapter 15. Transient behavior of an industrial acetylene converter 154
Chapter 16. Modeling of alkane dehydrogenation under transient and steady state conditions over a ehromia catalyst using isotopic labelling. 162
Chapter 17. The development of a model capable of predicting diesel lean NOx Catalyst Performance under transient conditions 170
PART III: DYNAMICS OF SURFACES 178
Chapter 18. Monte carlo and lattice-gas studies of the kinetics of hydrocarbon hydrogenation reactions 180
Chapter 19. Time distribution of adsorption energies, local monolayer capacities, local isotherms and energy distribution functions on catalytic surfaces 188
Chapter 20. Molecular dynamical studies of the mobility of benzene and water on silica surfaces: correlation with the influence of surface chemistry and morphology. 196
Chapter 21. Experimental study of reaction instability and oscillatory behavior during CO oxidation over pd supported on glass fiber catalysts 204
Chapter 22. Enhancement of selective conversion in spatially patterned reactors 212
PART IV: NOVEL REACTORS 220
Chapter 23. A novel laboratory reactor for gas-phase transient kinetics based on time-of-flight and quadrupole mass spectroscopy 222
Chapter 24. Development of new photo-catalytic methods and reactors for waste water treatment 232
Chapter 25. An integrated dehydrogenation-hydrogenation membrane reactor for the simultaneous production of styrene and cyclohexane 242
Chapter 26. A simple and flexible micro reactor for investigations of heterogeneous catalytic gas phase reactions 250
Chapter 27. The use of a catalytic wall reactor for studying highly exothermic reactions 260
Chapter 28. A novel reactor to activate chromium-catalysts 268
PART V: KINETIC MODELING 278
Chapter 29. Kinetics and reactor simulation for polyethoxylation and polypropoxylation reactions 280
Chapter 30. On the use of response reactions in the kinetic modeling of complex heterogeneous catalytic reactions 288
Chapter 31. Kinetic effects of chemical modifications of PMo12 catalysts for the selective oxidation of isobutane 296
Chapter 32. Kinetic based deactivation modeling of an isothermal propane dehydrogenation reactor 304
Chapter 33. Development of kinetic models for reactions of light hydrocarbons over ZSM-5 catalysts. Experimental studies and kinetic modeling of ethene transformation and deactivation of HZSM-5 catalyst 312
Chapter 34. Two-dimensional reactor modeling of the pure dehydrogenation of methanol to formaldehyde 320
Chapter 35. Kinetic modeling of enzymatic chiral resolution of (±)2-methyl butyric acid 330
Chapter 36. Regioselective synthesis of monoglycerides. Kinetic modeling 338
Chapter 37. Kinetic modeling of paraffins hydrocracking based upon elementary steps and the single event concept 346
Chapter 38. A comparative kinetic study of CH4 oxidation by NiO/AI2O3, Pt/Al2O3 and NiO-Pt/AI2O3 catalysts 354
PART VI: CATALYSIS IN PROCESSES 362
Chapter 39. Kinetic and mass-transfer effects in the hydrogenation of xylose to xylitol 380
Chapter 40. Methylation of biphenyl over zeolite H-ZSM-5 in gas phase with methanol in presence of water : effect of the catalyst impregnation by tetraethyl orthosilicate 372
Chapter 41. Kinetics and mechanism studies of the catalytic dehydrogenation of isobutane on Platinum-Indium catalyst 380
Chapter 42. Synthesis of ethylbenzene from diethylbenzenes in the presence of benzene using triflic acid as catalyst 388
Chapter 43. Elementary steps of reaction pathway in the pilot plant photomineralisation of s-triazines on to photocatalytic membranes immobilising titanium dioxide and promoting photocatalysts 398
Chapter 44. Methane oxidation over supported nickel catalysts 406
PART VII: POSTERS 414
Chapter 45. Novel sensor for studying the transient behaviour of an iron antimonate partial oxidation catalyst 416
Chapter 46. Chemical equilibria in direct synthesis of dimethyl ether 420
Chapter 47. Thermodynamics and kinetics of the synthesis of higher aliphatic alcohols 424
Chapter 48. Kinetics of esterification of acrylic acid with C3 and C4 aliphatic alcohols in the presence of sulfuric acid as a catalyst 428
Chapter 49. Hydrogenation of carbonaceous adsorbed species formed during the CO/H2 reaction on a Ru/AI2O3 catalyst: experiment and kinetic modeling 432
Chapter 50. Application of the continuous two impinging streams reactors in chemical absorption 436
Chapter 51. A kinetic study of Heck reaction of iodobenzene and methyl acrylate using homogeneous Pd/TPP catalyst 440
Chapter 52. Kinetic and catalytic aspects in the synthesis of polyethylene terephtalate (PET), also through the use of model molecules 444
Chapter 53. H/D isotopic exchange between oxide surface and spiltover hydrogen on nickel supported catalysts 448
Chapter 54. Transient studies of adsorption kinetics 452
Chapter 55. Modeling the Voltammetric behaviour of cobalt cations inside zeolites 456
Chapter 56. Modeling transient tracer studies of complex activation mechanisms of two-atom labelled molecules 460
Chapter 57. Preparation of ZSM-5 zeolite film on metal support 464
Chapter 58. A steady state isotopic transient kinetic analysis of NO reduction over Pt/SiO 2 under lean burn conditions 468
Chapter 59. Modeling the dynamics of the surface of a carbon 472
Chapter 60. Investigation of isomerization kinetics of m-xylene over zeolite based catalysts 476
Authors' Index 480
Studies in Surface Science and Catalysis 484