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American Institute of Chemical Engineers
CCaattaallyyssiiss aanndd RReeaaccttiioonn EEnnggiinneeeerriinngg DDiivviissiioonn
Presentations at the 2007 AIChE Annual Meeting
November 4-9, 2007 Salt Lake City, Utah, USA
Volume 1 of 2
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ISBN: 978-1-60560-015-4
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ISBN: 978-1-60560-015-4 Copyright (2007) by the American Institute of Chemical Engineers. All rights reserved. For permission requests, please contact the American Institute of Chemical Engineers at the address below. American Institute of Chemical Engineers Proceedings Three Park Avenue New York, NY 10016-5991 Phone: 212-591-8100 www.aiche.org
American Institute of Chemical Engineers
Catalysis and Reaction Engineering Division
TABLE OF CONTENTS
VOLUME 1
A First Principles Study of the Effects of Sulfur Adsorption on the Activity of Pt, Ni and Pt3Ni ......................................................................................................................................... 1
D. Pillay, M. D. Johannes
Adsorbate-Adsorbate Interactions on Surfaces: First Principles Studies of Alkali Promotion In Chemical Reaction on Metal Surfaces....................................................................... 2
S. Linic, J. Mukherjee, H. Xin
Ab-Initio All Electron Relativistic Calculations for Co-Pt3Sn(111) System for Preferential Oxidation of Co .............................................................................................................. 3
A. Sümer, A. E. Aksoylu
A Comparative Theoretical Study of Methanol Oxidation on Isolated Vanadate Species Supported on Silica And Titania ......................................................................................... 5
A. Goodrow, A. T. Bell
Accelerated Molecular Dynamics Simulation of Temperature Programmed Desorption ........................................................................................................................................... 6
K. E. Becker, K. A. Fichthorn
Mechanistic Insights on Fischer-Tropsch Synthesis...................................................................... 7R. P. Nabar, A. U. Nilekar, M. Mavrikakis, M. Ojeda, A. Ishikawa, E. Iglesia
Unique Hydrogen Configuration on TiO2(110) Upon Carboxylic Acid Dissociation ................... 8N. A. Deskins, M. Langell, M. Dupuis, I. Lyubinetsky, Y. Du, M. A. Henderson
Steady State Multiplicity In Biological Reactors............................................................................ 10D. Ramkrishna, J. I. Kim
How Modern Theoretical Methods Help in Understanding Catalysis at a Fundamental Level............................................................................................................................ 11
A. Bell
Ecological Models and Dynamics ................................................................................................... 12R. A. Schmitz
The Formation of Hot Zones In Packed Bed Reac......................................................................... 13D. Luss
Microfabricated Reactors for Mechanistic And Kinetic Studies of formaldehyde Synthesis on Silver ........................................................................................................................... 14
E. Cao, S. Firth, P. McMillan, G. Sankar, A. Gavriilidis
Photopolymerization in Nanostructured Systems ........................................................................ 15C. A. Guymon
Atom Transfer Radical Polymerization Grafting for Surface Modification - High Grafting Density and Controlled Molecular Weight....................................................................... 16
S. Zhu, J. L Brash, W. Feng
On the Origins of Autoacceleration in Free Radical Polymerization: the Major Role of Diffusion-Controlled Termination Involving Short Polymeric Radicals......................... 17
J. M. Torkelson
Photografting Antibodies for Rapid Antigen Detection in Biologically Complex Fluids.................................................................................................................................................. 18
K. Anseth, R. P. Sebra, K. S. Masters, C. N. Bowman
Modeling of a Micro-Scale Heat Exchanger Reactor for Portable Hydrogen Production ......................................................................................................................................... 20
A. M. Moreno, B. A. Wilhite
Automated Microfluidic System for Online Optimization of a Chemical Reaction Network .............................................................................................................................................. 21
J. P. McMullen, N. Zaborenko, A. T. Papageorge, K. F. Jensen
Thermal Design Aspects of Micro Scale Processing .................................................................... 22J. W. Swarts, A. E.M. Janssen, R. M. Boom
Dynamic, Multi-Dimensional Electrochemical Modelling and Control of Direct Internal Reforming Solid Oxide Fuel Cells ..................................................................................... 23
K. Tseronis, I. Kookos, C. Theodoropoulos
Dynamics and Volterra-Model Based Control of a Tubular Solid Oxide Fuel Cell ( Sofc) ................................................................................................................................................... 28
D. Bhattacharyya, R. Rengaswamy, F. Caine
Towards In-Line Control of a Production-Scale Synthesis .......................................................... 29M. A. Liauw
Low and High Molecular Weight Hydrogenations in Structured, Pulsed Flow Reactors ............................................................................................................................................. 30
A. G. Bussard, Y. Waghmare, F. C. Knopf, K. M. Dooley
Hysteresis in High Pressure Trickle Bed Reactor ......................................................................... 33Z. V. Kuzeljevic, W. V. der Merwe, M. P. Dudukovic, M. H. Al-Dahhan
Dns-Derived Models for The Prediction of Yield And Selectivity in Reactive Bubbly Flows ..................................................................................................................................... 35
S. Radl, J. Khinast
Microchannel Reactor System for an Acid-Catalyzed Cycloaddition Reaction Involving Two Immiscible Liquid Phases ....................................................................................... 36
O. C. Okafor, A. Lawal, D. Qian, P. Pichai, G. Tampy
Local Measurements of Selectivity and Effectiveness in Trickle-Bed Reactors Using 13C D.E.P.T. MRI .................................................................................................................... 37
C. P. Dunckley, A. J. Sederman, M. D. Mantle, Z. Huang, L. F Gladden
Micro-Packed Beds: The Impact of Non-Trickling Micro-Fluidic Behaviour on Reactor Performance........................................................................................................................ 38
D. Van Herk, N. Marquez, P. Castaño, M. T. Kreutzer, M. Makkee, J. A. Moulijn
Modeling of Multiphase Reactors for Reductive Alkylation of Aromatic Amines ...................... 39R. V. Chaudhari, D. Roy, A. S. Chaudhari
Adsorption And Diffusion of Transition Metal Clusters Over ?-Alumina.................................... 45N. A. Deskins, D. Mei, M. Dupuis
Near-Surface Alloys for Hydrogen-Based Chemistry ................................................................... 47P. A. Ferrin, S. Kandoi, J. Zhang, R. R Adzic, M. Mavrikakis
A First-Principles Investigation of The Adsorption of Substituted Cyclohexanes on Iridium Surfaces........................................................................................................................... 48
Y. Xu, D. E. Resasco
Trends in Coverage Dependence of Oxygen Adsorption on Noble Metals ................................ 49J. Kitchin
A Combined Theoretical And Experimental Study of Cobalt Carbonyl Co Hydrogenation Catalysts.................................................................................................................. 50
R. Meyer, J. Rathke, R. Klingler
Characterization of Acidic Groups in Functionalized Mesoporous Silica Using Quantum Chemical Simulations...................................................................................................... 51
D. C. Yeragi, S. L. Hruby, G. L. Schrader, B. H. Shanks
Millisecond Conversion of Renewable Fuels by Catalytic Autothermal Reforming .................. 72L. D. Schmidt
Stirred Pots and Empty Tubes......................................................................................................... 73C. J. Pereira
Frontiers of Shape Selective Separation ........................................................................................ 74J. Wei, C. A. Floudas, C. E. Gounaris
The Effects of Depropagation And Equilibrium Limitations on Polymerization Reactor Behavior .............................................................................................................................. 75
W. H. Ray
Microchemical Systems for Portable Biofuels Reforming: Revisiting and Rethinking Chemical Reaction Engineering Analysis .................................................................. 76
B. A. Wilhite
Photopolymerization of Thick Systems And Elimination of Oxygen Inhibition ......................... 77A. Scranton, N. S. Kenning, L. Gou
Polymerizations in the Service of Nanotechnology and Intelligent Biomaterials Science............................................................................................................................................... 78
N. A. Peppas
Reaction Engineering of Photopolymerized Systems .................................................................. 79C. N. Bowman, K. Anseth, A. Kannurpatti, A. Guymon, M. Goodner, A. T. Metters, L. Lovell, J. Elliott, K. A. Berchtold, N. Cramer, E. Beckel, A. O'Brien, S. Reddy, H. Kilambi
Microfluidic Systems for Organic Chemical Reaction Engineering Synthesis .......................... 80K. F. Jensen
Nanoreactors and Nanostructured Materials ................................................................................. 81R. B. Khomane, B. D. Kulkarni
Solar Energy Driven Catalytic Reduction of Carbon Dioxide in the Gas Phase......................... 87D. Uner, O. Ergun, O. Karslioglu, M. M. Oymak
Application of Integrated Models for Industrial Processes .......................................................... 88L. H. Thompson, J. Jimenez, P. Gillis, I. Lengyel
Technology Development a La Lkd: Elasticity Effects in Jetting of Polymer Solutions ............................................................................................................................................ 89
D. Doraiswamy, R. K. Gupta, L. Han
Modeling and Engineering of Defects In TiO2 for Catalysis......................................................... 90A. G. Hollister, R. Vaidyanathan, E. G. Seebauer
Low-Temperature Synthesis of Ordered Nanoporous Titanium Dioxide Loaded With Platinum Nanocatalyst............................................................................................................. 91
J. Sarkar, V. T. John, C. J. Brooks, G. Ramanath, A. Bose
Tuning The Electronic and Molecular Structures of Catalytic Active Sites with Oxide Nanoligands............................................................................................................................ 92
I. E. Wachs, E. I. Ross-Medgaarden, W. Zhao, C. Kiely
Sol-Gel Synthesis of Nanostructured Vanadium Phosphorus Oxides as Catalyst for the Partial Oxidation of Butane to Maleic Anhydride .............................................................. 93
J. M. Salazar, D. Hall, K. L. Hohn
A Double Exponential Effect of Confinement on Reaction Rates................................................ 94E. E. Santiso, M. B. Nardelli, K. E. Gubbins
Wacker Oxidation by Graphite Nanofiber Supported Catalysts .................................................. 95R. Weinstein, C. Bessel, A. Baum, C. Marotta, T. Baker, N. Rodriguez
New Insights Into The Solid Acidity of Supported WO3/ZrO2 Catalysts..................................... 96I. E. Wachs, E. I. Ross-Medgaarden, W. V. Knowles, T. Kim, M. S. Wong
Adjusting Ligand Characteristics of Rhodium Complexes to Improve Reactivity of Aromatic Hydrocarbon Oxidative Carbonylation to Aromatic Acid ............................................ 99
J. Zakzeski, A. Bell
Rational Design of Shape Selective Separation and Catalysis: Entropic Contributions and Portal Flexibility .............................................................................................. 100
C. E. Gounaris, C. A. Floudas, J. Wei
Microkinetic Analysis of Methane Oxidative Coupling ............................................................... 102J. Sun, J. W. Thybaut, G. B. Marin
Ni-Alloy Catalysts for Hydrocarbon Steam Reforming: formulation of Novel Catalysts Guided by Molecular Insights....................................................................................... 111
E. Nikolla, S. Linic
Ru@Pt Core-Shell Nanocatalysts for Enhanced Co-Tolerant Catalytic Hydrogen Activation ......................................................................................................................................... 112
A. U. Nilekar, S. Alayoglu, B. Eichhorn, M. Mavrikakis
Optimal Bidisperse Pore Structure of Heterogeneous Catalysts, and Its Application to Denox ...................................................................................................................... 113
G. Wang, M. O. Coppens
Adsorption Properties of Supported Co(Salen) Nanoparticles: Characterization By In Situ Exafs, Xanes And Raman Spectroscopies ................................................................. 115
C. A. Johnson, B. Long, B. Subramaniam, J. Guzman
In Situ Ft-IR Spectroscopy of Co-Containing NOx Traps ........................................................... 116R. Vijay, C. Snively, J. Lauterbach
First Application of Band Target Entropy Minimization Algorithm for the Pure Component Spectral Reconstruction of Heterogeneous Catalytic System of Carbonmonoxide And Nitrogenoxide Reaction Over A Pt/gamma-Al2O3 Catalyst Using In Situ Drift Spectroscopy................................................................................................... 117
S. Chilukoti, E. Widjaja, F. Gao, H. Zhang, B. G. Anderson, J. Niemantsverdriet, M. Garland
In-Situ Drifts Study on Model Pt/Ba/Al2O3 Nox Storage/reduction Monolithic Catalysts .......................................................................................................................................... 118
J. L. Ratts, L. Cumaranatunge, W. N. Delgass, N. W. Currier, A. Yezerets, F. Ribeiro
An Operando Raman, IR, Tpsr Spectroscopic Investiagtion of The Selective Oxidation of Propylene To Acrolein Over Supported Vanadia Catalysts ................................. 119
C. Zhao, I. E. Wachs
In-Situ Monitoring of Catalyzed Aqueous-Phase Trichloroethylene Hydrodechlorination Using Pd-On-Au Nanoshells Via Surface-Enhanced Raman Spectroscopy .................................................................................................................................. 120
K. N. Heck, N. J. Halas, M. S. Wong
Ideal Membrane Cascades As an Example of Emergence ......................................................... 121E. N. Lightfoot
Identifying Structure-Property Relationships for Selective Oxidation Catalysts..................... 122A. T. Bell
Ossification: A New Approach for Immobilization of Homogeneous Catalysts....................... 123R. V. Chaudhari, B. Sarkar
On Bubble Size Distributions in Bubble Columns in the Heterogeneous Regime .................. 124D. Ramkrishna, M. R. Bhole, J. B. Joshi
Synthesis And Activity of Pd Nanoparticle Catalysts ................................................................. 133P. D. Burton, D. M. Lavenson, D. Gorm, A. Karim, A. K. Datye, B. A. Hernandez-Sanchez, T. J. Boyle
High Reactivity of Pt-Bha Nanocomposite Catalysts for Combustion Reactions.................... 134Y. Zhang, S. Natesakhawat, T. Sanders, C. Matranga, G. Veser
Kinetic Characterization of Multimetallic Cluster-Derived Catalysts Used for Selective Hydrogenation of Citral ................................................................................................. 135
K. J. Uffalussy, B. Captain, R. D. Adams, A. B. Hungria, J. R. Monnier, M. D. Amiridis
Immobilized Rh(I), Rh(Ii), And Rh(Iii) Complexes on Zsm-5: In Situ Infrared, Raman, And X-Ray Absorption Spectroscopies Characterization ............................................ 136
B. Long, J. Guzman
Preparation And Characterization of Nanoscale Catalysts for The Production of Synthetic Fuels................................................................................................................................ 137
H. W. Rollins, L. M. Petkovic, D. M. Ginosar
C-H Activation and C-C Coupling of 4-Methylpyridine Using Palladium Supported on Nanoparticle Alumina................................................................................................................ 138
L. M. Neal, H. E. Hagelin-Weaver
Self-Initiation in High-Temperature Polymerization of Alkyl Acrylates - a Theoretical Study of the Mechanism ............................................................................................ 140
S. Srinivasan, M. W. Lee, A. M. Rappe, M. Soroush, M. C. Grady
Kinetic Modeling of Acrylate Polymerization at High Temperature........................................... 143X. Yu, L. J. Broadbelt
A Robust Bayesian Approach for Model Discrimination in Kinetics of Copolymerization ............................................................................................................................ 144
A. Habibi, J. De Wilde
Methodology of Kinetic Modeling of Single-Site Olefin Polymerization ................................... 152K. A. Novstrup, G. Medvedev, N. E. Travia, C. Stanciu, T. A. Manz, W. N. Delgass, M. M. Abu-Omar, J. M. Caruthers
Hydrocarbon Conversion on Zeolite and Catalyst Deactivation................................................ 153B. Wang, G. Manos
Deactivation of La-X Zeolites In isobutane/2-Butene Alkylation................................................ 161C. Sievers, I. Zuazo, A. Guzman, R. Olindo, J. A. Lercher
Stability of Potassium-Promoted Iron Oxide Dehydrogenation Catalysts................................ 162Z. Li, B. H. Shanks
Investigating Thermal Degradation on A Monolith-Supported Pt/Al2O3 Catalyst Using IR Thermography ................................................................................................................. 163
W. Epling, O. Shakir
Deactivation Characteristics of Pd/au Nanoparticle Catalysts By Chloride And Sulfide for The Aqueous Hydrodechlorination of Trichloroethylene ........................................ 164
K. N. Heck, M. Wong, Y. l. Fang, P. Alvarez, M. O. Nutt
On The Correct Particle Size Distributions During Sintering of Catalysts Following The Ostwald Ripening Mechanism.............................................................................. 165
E. Soto-Mercader, E. Salinas-Rodriguez, G. A. Fuentes
Effects of Regenerated Monolithic Catalysts on Removal of Hydrogen Sulfide in Coal Gases....................................................................................................................................... 167
K. C. Kwon, C. Burnell, T. Allen, R. Lewis
Lagrangian Tracking of Solids Flow Field in Solid-Liquid Stirred Tank ................................... 178D. Guha, P. A. Ramachandran, M. P. Dudukovic
Effect of Intra-Bed Flow Maldistribution on Chemical Conversion In Microfibrous Materials Using Computational Fluid Dynamics ......................................................................... 179
R. Duggirala, C. J. Roy, R. Kalluri, H. Yang, D. Cahela, B. J. Tatarchuk
Cfd and Pseudo-continuum Modeling of a Low-N Packed Bed with Endothermic Reactions ......................................................................................................................................... 180
M. E. Taskin, A. G. Dixon, H. Stitt
Residence Time Distribution Analysis from Cfd Simulations of Microscale Flows in Microfibrous Entrapped Adsorbents/catalysts........................................................................ 181
D. R. Cahela, R. Duggirala, C. J. Roy, H. Yang, R. Kalluri, B. J. Tatarchuk
Evaluation of the High Temperature Conversion of Plastic Particles after Injection into Blast Furnace Raceway Using Cfd Simulations................................................................... 182
M. Harasek, C. Jordan, F. Winter, G. Aichinger, C. Feilmayr, S. Schuster
Cfd Modeling of Acetylene Pyrolysis for Low Pressure Carburizing of Steel .......................... 190R. U. Khan, D. Buchholz, F. Graf, S. Bajohr, R. Reimert
Activated Mg-Al Hydrotalcite Catalysts for Transesterification: Effect of Rehydration ..................................................................................................................................... 197
Y. Xi, R. J. Davis
X-Ray Absorption Spectroscopic Investigation of Mo-V Based Mixed Oxide Catalysts for The Selective Ammoxidation of Propane .............................................................. 198
N. R. Shiju, D. R. Mullins, S. H. Overbury, V. V. Guliants
Is There a Relationship between the M=O Bond Length in Bulk Mixed Metal Oxides and Catalytic Activity? ...................................................................................................... 201
K. Routray, I. E Wachs
Reaction Pathways of Ethyl And Ethylidene Intermediates on a-Cr2O3(1012) ........................ 202J. D. Brooks, Q. Ma, D. F. Cox
Modulating the Catalytic Properties of the Oxide Surface by Metal Doping ............................ 203R. G. Pala, H. Metiu
Modified Titania Supported Manganese Oxide Catalysts for Low Temperature Scr of Nitric Oxide.................................................................................................................................. 204
S. M. Pavani, P. Smirniotis
Methane Oxidation Activity And Selectivity of La0.75Sr0.25Cr1-xMnxO3-d Under Solid Oxide Fuel Cell Anode Conditions ...................................................................................... 205
M. Van den Bossche, S. McIntosh
Nature of the Active Sites in Lithium Doped Magnesia Catalysts and Their Role in the Synthesis of Flavanone ........................................................................................................... 206
J. A. Cortés-Concepción, F. Patcas, M. D. Amiridis
Rambling through Ken Bischoff's Professional Career.............................................................. 207O. Levenspiel
Understanding Adaptive Immunity - a Crossroad of Chemical Kinetics .................................. 208A. K. Chakraborty
Development of Physiological Pharmacokinetics ....................................................................... 209R. L. Dedrick
Reaction Engineering of Photochemical Upgrading of Biomass .............................................. 211R. S. Weber, M. D. Marion
Simulating Active Sites, Environments and Their Influence on Catalytic Performance .................................................................................................................................... 212
M. Neurock
Detailed Kinetic Modeling of Complex Reactions: Reaction Network and Parameter Estimation Issues......................................................................................................... 213
M. T. Klein, Z. Hou, C. Bennett
The Application of Fundamentals In The Kinetic Modeling of Commercial Processes ........................................................................................................................................ 214
G. F. Froment
Ken Bischoff's Place in the Industrial Scene ............................................................................... 215R. M. Koros
Commercial Experience with Emxô - Ten Years after ............................................................... 216S. De Cicco, J. A. Cole
Micro-Kinetic Model Development for Nox Storage And Reduction Over Pt/BaO/Al2O3 Catalysts Using Temporal Analysis of Products ................................................ 224
A. Kumar, V. Balakotaiah, M. P. Harold
Modelling of Nox Reduction Dynamics and Selectivity in Nox Storage Catalytic Monolith ........................................................................................................................................... 226
P. Koci, J. Stepanek, F. Plat, M. Kubicek, M. Marek
Multipollutant Emissions Control with Emxô Lean Nox Trap Catalyst Technology .............. 228J. A. Cole, S. De Cicco
Impact of Urea Injection on Nox Emissions for Msu Challenge X Hybrid Electric Vehicle.............................................................................................................................................. 236
K. Crawford, H. Toghiani, M. Molen, D. Oglesby, C. Whitt, K. Walp, R. Toghiani
Comparative Analysis of Catalytic Retrofits for Particulate Matter Reduction in School Bus Passenger Compartments Under Realistic Operating Conditions ....................... 252
D. Martinez, R. Hesketh, K. Bhatia, A. Marchese
Integrated Short Contact Time Hydrogen Generator (Scpo) ...................................................... 253K. K. Liu, R. B. Watson, W. Wei, C. Moorefield, P. Kulkarni, G. Deluga
Reaction Testing of A Core-In-Shell Material Combining Catalysis And Sorption for H2 Production............................................................................................................................ 254
K. O. Albrecht, J. A. Satrio, B. H. Shanks, T. D. Wheelock
A Cu/pt Near-Surface Alloy for Water-Gas Shift Catalysis ......................................................... 255A. U. Nilekar, J. Knudsen, R. T. Vang, J. Schnadt
Comparison of Unpromoted Ferrochrome Wgs Catalysts To Those Promoted With Au Or Cu.................................................................................................................................. 256
J. S. Coleman, C. R. F. Lund
Structural Water Gas Shift Catalysts ............................................................................................ 257T. Popa, G. Xu, T. L. Barton, M. D. Argyle
An Investigation of Pt-Promoted Solid Acid Catalysts for Tar Removal From Biomass Gasification Gas for Cleaner Production of Hydrogen ............................................... 258
S. S. Pansare, J. G. Goodwin
K-Promoted Ru Catalysts for Ammonia Decomposition Discovered Using High-Throughput Experimentation......................................................................................................... 260
E. D'Addio, R. Vijay, J. Binz, W. D. Pyrz, D. Vlachos, D. J. Buttrey, J. Lauterbach
Characterization of K-Promoted Ru Catalysts for Hydrogen Production Via Ammonia Decomposition............................................................................................................... 261
W. Pyrz, R. Vijay, J. Binz, D. G. Vlachos, J. Lauterbach, D. J. Buttrey
O2-Coverage Dependent O2 Adsorption And Co Oxidation on Reduced TiO2(110): A First Principles Study.................................................................................................................. 269
D. Pillay, Y. Wang, G. S. Hwang
Fundamental Studies of CH3OH Oxidation Over Well-Defined Supported V2O5 Catalysts: Support Metal Oxide Effect.......................................................................................... 270
T. Kim, I. E. Wachs
Surface Chemistry of Gold Nano-Structures Deposited on Oxides: First Principles Studies of Oxide-Specific O2 Interactions With Supported Gold .............................................. 271
S. Laursen, S. Linic
Effect of Substitutional Boron Defects In Carbon on The Stability And Activity of Pt Nanoparticles.............................................................................................................................. 272
C. Acharya, H. Turner
Sintering Studies on Model Catalytic Systems............................................................................ 273A. DeLaRiva, L. R. Houk, R. Goeke, A. K. Datye
Directed Synthesis and Characterization of a Supported Bimetallic Overlayer Catalyst ............................................................................................................................................ 274
M. P. Latusek, J. H. Holles
Chemical Reaction Engineering Practice: a Personal Perspective ........................................... 276C. Pereira
Innovative Chromatographic Processes for Protein Purification .............................................. 277M. Morbidelli
Microchannel Process Technology and Its Impact on Chemical Reaction Engineering ..................................................................................................................................... 278
J. J. Lerou
Gas-Expanded Liquids: Tunable Solvents for Intensifying Catalytic Reactions ..................... 279B. Subramaniam
Temperature Profile in Catalyst Bed during Methane Autothermal Reforming: Experiments and Modelling ........................................................................................................... 280
L. Salemme, D. Scognamiglio, M. Simeone, L. Russo, P. Maffettone, S. Crescitelli, C. Allouis, G. Volpicelli
Analytical Sampling in Catalytic Partial Oxidation: Methanol on Rhodium.............................. 288A. Bitsch-Larsen, N. J. Degenstein, L. D. Schmidt
The Effect of Nickel Loading on Conversion and Hydrogen Yield During Isooctane Reforming Under Pox and Atr Conditions.................................................................. 289
A. R. Tadd, J. Schwank
The Effect of Ni:Pt Ratio on Autothermal Reforming Performance of Pt-Ni/Al2O3 Catalyst ............................................................................................................................................ 290
B. A. Gocmen, F. Gokaliler, A. E. Aksoylu
The Interaction of Sulfur Containing Compounds With Nickel-Ceria-Zirconia Catalysts During The Autothermal Reforming of Hydrocarbon Fuels ...................................... 292
J. M. Mayne, A. R. Tadd, J. Schwank
Hydrogen Production from Glucose Using Ru/Al2O3 Catalyst in Supercritical Water ................................................................................................................................................ 293
A. Byrd, K. K. Pant, R. B. Gupta
Novel Reforming Catalyst for Aqueous Phase Reforming ......................................................... 294X. Wang, N. Li, W. R. Schwartz, C. Wang, S. Lim, L. D. Pfefferle, G. L. Haller
Catalytic Oxidation of Chlorinated Aromatics Over V2O5/TiO2 Catalysts in The Presence of Steam .......................................................................................................................... 295
C. E. Hetrick, F. Patcas, M. D. Amiridis
Investigation of the Catalytic Wet Air Oxidation of Wastewaters Containing Orange Ii Dye ................................................................................................................................... 296
P. Ozdural, J. F. Akyurtlu, M. Erten-Unal, A. Akyurtlu
Catalytic Kinetics of Dibenzothiophene Oxidation with the Combined Catalyst of Quaternary Ammonium Bromide and Phosphotungstic Acid.................................................... 302
G. Luo, Y. Lu, Y. Wang, D. Huang
In Situ Measurement of The Redox Behavior of Individual Ceria Zirconia Nanoparticles .................................................................................................................................. 303
R. Wang, P. A. Crozier, R. Sharma, J. B. Adams
Conversion of an Hydrogenate Lco Into an Oxygenate Diesel Fuel.......................................... 305R. G. Tailleur, H. A. Paulini
Thermal Aging of Ag-Alumina Catalyst for Removing Nox by Dodecane ................................ 307J. H. Park, D. Y. Yoon, H. C. Kang, I. S. Nam, G. K. Yeo, J. K. Kil, M. S. Cha
Effect of Pt Cluster Size And Support on The Reaction of NO And O2 To NO2....................... 310S. Mulla, L. Cumaranatunge, W. Zhao, A. Smeltz, S. M. Kim, E. Stach, J. T. Miller, W. N. Delgass, F. H. Ribeiro
Catalytic Activity And Oxidation States of Cu And Pd In Carbon-Supported Catalysts for The Oxidative Carbonylation of Ethanol................................................................ 312
D. N. Briggs, Y. Zhang, A. T. Bell
Role of Lattice Oxygen In The Partial Oxidation of Methane Over Ceria-Based Catalysts .......................................................................................................................................... 313
M. Salazar, D. Berry
In-Situ Raman Measurements of Gold-Doped Ceria Catalysts Under Carbon Monoxide and Water-Gas-Shift Reaction Conditions ................................................................. 314
R. Si, W. Deng, S. Banerjee, W. Wang, J. Raitano, I. P. Herman, S. W. Chan, M. Flytzani-Stephanopoulos
Understanding Au-Catalyzed Low Temperature Co Oxidation .................................................. 316M. C. Kung, R. J. Davis, H. H. Kung
Preferential Oxidation of Co on Pt-Nb2O5/Al2O3 Catalysts. Study of The Nb Promotion Effect And Kinetic Analysis ........................................................................................ 317
S. Guerrero, J. T. Miller, J. Kropf, E. E. Wolf
Dynamics of Ignition and Front Propagation in Polymer Electrolyte Membrane Fuel Cells ......................................................................................................................................... 319
J. B. Benziger, Y. G. Kevrekidis
Convection, Diffusion and Reaction in a Non-Isothermal, Porous Catalyst Slab .................... 320S. S. S. Cardoso, A. E. Rodrigues
Dynamics and Control of Axially Dispersed Chemical Reactors............................................... 322M. Li
Characterisation of the Dynamic Behaviour of Briggs-Rauscher Reaction in a Fed-Batch Reactor .......................................................................................................................... 344
A. Mukherjee, D. P. Searson, M. J. Willis
Kinetic Modeling of Nitrogen Inhibition Effect on The Gasoil Hydrodesulfurization .............. 351M. Medde, M. L. Diana, R. Baratti, S. Melis
Hydrodynamic and Kinetic Modeling of Fluid Catalytic Cracking Riser Reactor .................... 352R. K. Gupta, V. Kumar, V. K. Srivastava
Hydrocracking Reactor Model with Vapor/liquid Equilibrium .................................................... 353L. A. Pellegrini, S. Gamba, V. Calemma, S. Bonomi
Controlling Combustion Location in Reverse-Flow Steam Reforming ..................................... 363F. Hershkowitz, J. W. Frederick, R. P. Lucchesi, R. F. Socha, E. Marucchi-Soos
Steam Reforming and Combustion Kinetics of N-Hexadecane for Modeling and Simulation of a Novel Catalytic Reformer .................................................................................... 373
P. Gawade, D. Patel, S. Goud, M. Abraham, G. Lipscomb
Effective Sulfur Tolerant Catalyst for Steam Reforming of Jet Fuel ......................................... 374A. Kataria, P. Ayyappan, M. Abraham
Understanding The Mechanism of N-Hexadecane Steam Reforming ....................................... 375S. Lakhapatri, M. Abraham
Activity of Molybdenum Carbide Catalysts for Gasoline Steam Reforming............................. 376O. G. M. Flores, S. Ha
Zno-Supported Catalysts for The Steam Reforming of Alcohols .............................................. 377T. R. Conant, A. Karim, V. Lebarbier, Y. Wang, A. Datye
Hydrogen Production from Ethanol Steam Reforming Over Supported Cobalt Catalysts .......................................................................................................................................... 380
S. Y. Lin, S. Ha
A Nitrite-Nitrate Model for Nox Storage on Pt/BaO/Al2O3 Catalysts ......................................... 381L. Cao, B. R. Kromer, L. Cumaranatunge, S. Mulla, J. L. Ratts, W. N. Delgass, F. H. Ribeiro, J. M. Caruthers, A. Yezerets, N. W. Currier
Component Role and Condition Influence on Lean Nox Trap Pt-BaO/Al2O3 Model Catalyst ............................................................................................................................................ 383
X. Chen, J. Schwank
The Use of in Situ Synchrotron-Based Techniques to Investigate The Desulfation Processes In The Pt-BaO/Al2O3 Lean Nox Trap Catalysts......................................................... 384
D. H. Kim, J. H. Kwak, X. Q. Wang, J. Szanyi, W. Epling, J. Hanson, C. H. F. Peden
Fundamental Investigations of Sulfation And Desulfation In Lean Nox Trap Catalysts .......................................................................................................................................... 385
T. J. Toops, J. A. Pihl
Sulfur Effects on Spatiotemporal Distribution of Reactions Involved In A Commercial Lean Nox Trap Operation ......................................................................................... 386
J. S. Choi, W. P. Partridge, C. S. Daw
Effects of Thermal Degradation on Key Nox Storage/reduction Catalyst Reactions .............. 387W. Epling, M. AlHarbi
Formation of Sodium Carbonate Sulfate Double Salts from Solid CaSO4 and Na2CO3 ............................................................................................................................................ 388
J. Wang, Y. Wu, E. J. Anthony
Decomposition of H2S and CH4 in Pulsed Corona Discharge Reactors .................................. 390S. John, G. B. Zhao, J. J. Zhang, L. Wang, S. S. Muknahallipatna, J. C. Hamann, J. F. Ackerman, M. D. Argyle, O. A. Plumb
A Study of Kinetic Effects Due To Using Microfibrous Entrapped Zinc Oxide Sorbents for Hydrogen Sulfide Removal From Model Reformates ........................................... 391
H. Yang, D. R. Cahela, B. J. Tatarchuk
Oxidation of p-Xylene To Terephthalic Acid In CO2 Based Reaction Medium......................... 392B. Rajagopalan, B. Subramaniam, D. H. Busch
ß-Pinene Hydrolysis By In-Situ Acid Catalysis In Reversible Smart Solvents ......................... 393M. Donaldson, J. P. Hallett, D. Vinci, E. John, P. Pollet, C. A. Eckert, C. Liotta
Enhanced Effect of Fe3+ And Fe2+ Ions on The Photocatalytic Oxidation of Organic Compounds: Reaction Mechanism Over The TiO2 Surface ........................................ 394
A. Ortiz-Gomez, B. Serrano-Rosales, H. De Lasa
A Novel Nanostructured Photocatalyst for Solar Hydrogen Production from Hydrogen Sulfide ............................................................................................................................ 396
J. O. Beag, B. B. Kale, E. Subramanian, S. J. Moon, K. J. Kong
Modified Catalytic Pathways In Supported Ionic Liquids ........................................................... 403C. Sievers, T. E. Müller, J. A. Lercher
Pressure-Induced Reduction of Shielding for Improving Sonochemical Activity ................... 404M. M. Van Iersel, N. E. Benes, J. T. F. Keurentjes
A Mesh Reactor for Asymmetric Transfer Hydrogenation With Simultaneous Acetone Stripping ........................................................................................................................... 405
X. Sun, M. Zanfir, A. Gavriilidis
Enhanced Isomerization In A Reverse Flow Reactor .................................................................. 406H. S. Caram, B. Carnish
The Residence Time Distribution of the Gas Phase in the Riser of a Circulating Fluidised Bed................................................................................................................................... 407
M. Van de Velden, J. P. K. Seville, X. Fan, J. Baeyens
Starved Feed Reaction Mechanism Applied in the Good Water-Solubility HSMF Resin................................................................................................................................................. 408
S. Lihong, Z. Jiaoqiang, X. Jun, Z. Gaoliang
Generalized Model of the Depolymerization of Polycarbonate: Chemistry, Chain Breakdown, Transport Phenomena and Reactor ........................................................................ 412
J. García-Serna, C. González-Serrano, R. Piñero-Hernanz, M. J. C. Alonso
Low-Dimensional Models for Bifurcation Analysis of Catalytic Monolith Reactors ................ 420S. Y. Joshi, M. P. Harold, V. Balakotaiah
Reactions of Complex Epoxides on Silver Surfaces................................................................... 421A. C. Lukaski, M. A. Barteau
Kinetic Study of Dichlorocyclopropanation of 1,7-Octadiene under the Influence of Ultrasound Assisted Phase-Transfer Catalysis Condition..................................................... 423
M. L. Wang, V. Rajendran
Kinetic Modelling of Semi-Batch Radical Crosslinking Copolymerizations............................. 424M. A. D. Gonçalves, R. C. S. Dias, M. Rui P. F. N. Costa
Study of Potassium Dititanate Catalyst for Treating Soot From Diesel Engine Exhausts .......................................................................................................................................... 425
Q. Wang, S. Y. Park, J. S. Chung
Selective Chain Propagation of Ethene to Propene on Silica Supported Cobalt Catalyst ............................................................................................................................................ 426
T. Suzuki, H. Komatsu, S. Tajima
Novel Catalysts for Sugar Conversion to 5-Hydroxymethylfurfural .......................................... 431Z. C. Zhang, H. Zhao, J. Holladay, H. Brown
Numerical Modeling of Solid-Oxide Fuel Cells ............................................................................ 432V. Janardhanan, S. Tischer, O. Deutschmann
A Mercury Adsorption Study on Fixed and Relaxed CaO Surfaces Using Density Functional Methods ........................................................................................................................ 433
B. G. Kim, P. Blowers
On the Injection of Initiator as Bubbles in Helical Ribbon Agitated Cstr during Continuous Mass Polymerization of Abs ..................................................................................... 434
K. R. Sharma
Monte Carlo Modeling of Gradient Copolymer Composition Distributions.............................. 440A. S. Cho, L. Wang, L. J. Broadbelt
Application of Rotating Packed Bed Rpb Reactor in Production of Mda ................................. 441W. Hua, J. S. Ding, J. Chen
Effect of Solvent In The Sol-Gel Preparation of Platinum-Carbon Aerogel Catalysts for Pemfc......................................................................................................................... 443
D. J. Suh, H. J. Kim, H. S. Park
VOLUME 2
Theoretical / Experimental Investigation of The Stability And Activity of Pt Nanoparticles on Pure And Boron-Doped Carbon ...................................................................... 444
C. Acharya, H. Turner
Nanocomposite Materials for Clean Energy Applications.......................................................... 445T. Sanders, T. Liu, G. Veser
Development of A Laboratory Scale Catalytic Cracking Reactor .............................................. 446T. J. Benson, W. E. Holmes, R. Hernandez, W. T. French, M. G. White, E. G. Alley
Temperature Effects on Lipase-Catalyzed Esterification on Micro And Lab Scale ................. 447J. W. Swarts, P. Vossenberg, A. E.M. Janssen, R. M. Boom
Production of H2 by Autothermal Reforming of Propane Over Ni Catalysts Supported on Ce Modified Perovskites ........................................................................................ 448
S. S. Lim, K. Y. Jung, S. Y. Park, J. H. Kong, D. J. Moon, J. H. Kim, Y. C. Kim, N. C. Park, J. S. Shin
Supercritical Fluid Solvent Effects on Activity and Selectivity in Fischer Tropsch Synthesis ......................................................................................................................................... 462
E. Durham, M. Bordawekar, C. B. Roberts
High Surface Area Indium Oxide And Mixed Indium-Tin-Oxide ................................................. 463A. G. Hagemeyer, M. Schlichter, A. F. Volpe
Transport In Nanoporous Zeolites Used In Alkylation Processes............................................. 464S. Nayak, P. A. Ramachandran, M. P. Dudukovic
Of Multi-Fuel (Hydrogen And Methane) on Mn-Substituted ....................................................... N/AText not available at the time of printing
Enhancement Effect of Promotors Over the Hydrotalcite-Like Catalyst in Autothermal Reforming of Propane .............................................................................................. 466
Y. S. Lim, J. H. Kong, K. Y. Jung, S. Y. Park, N. C. Park, J. S. Shin, J. H. Kim, D. J. Moon, Y. C. Kim
Development of the Heterogeneous Catalyst System for a Production of Biodiesel from Used Vegetable Oils .............................................................................................................. 467
Y. M. Park, D. W. Lee, D. K. Kim, J. S. Lee, K. Y. Lee
Perovskite-Type Catalyst for Catalytic Combustion in Mcfc System ........................................ 471J. H. Jang, D. W. Lee, S. Kim, J. Y. Lee, Y. S. Kim, K. Y. Lee
Enantioselective Diels-Alder Reactions of Cyclopentadiene with Chiral Acrylates in Confined Nanospaces of Al-Mcm-48 ........................................................................................ 476
S. S. Thakur, J. K. Shon, S. S. Kim, S. S. Park, H. I. Lee, D. H. Ryu, J. M. Kim
Three-Phase Cr-Free Metal Oxide Catalysts for High Temperature Wgsr of Fuel Processor Using Lpg ...................................................................................................................... 477
J. Y. Lee, D. W. Lee, J. H. Jang, S. Kim, K. Y. Lee
Catalytic Combustion of Multi-Fuel (Hydrogen, Methane and carbon monoxide) on Mn-Substituted La, Ba, Sr -Hexaaluminate ............................................................................. 480
S. Kima, D. W. Lee, J. H. Jang, J. Y. Lee, K. Y. Lee
Effect of Periodic Temperature Change on Oxidation of Carbon Monoxide ............................ 484K. I. Sotowa, K. Kuroda, K. Ishihana, S. Sugiyama, K. Nakagawa
Novel Combustion-Based Approaches for Catalyst Preparation: Hydrogen Production From Methanol ............................................................................................................ 485
S. J. Schuyten, A. S. Mukasyan, E. E. Wolf
Multi-Scale Modelling of Transport and Reaction in Catalytic Monolith Washcoat................. 486P. Koci, V. Novak, M. Marek, M. Kubicek, F. Stepanek
Solubilities And Mass Transfer Parameters of N2, He, Co, H2 And CO2 Under Fischer-Tropsch Conditions .......................................................................................................... 488
L. Sehabiague, M. Sanoja, Y. J. Heintz, B. I. Morsi
Modeling And Optimization of A Large-Scale Slurry Bubble Column Reactor for Producing 10,000 Bbl/day of Fischer-Tropsch Liquid Hydrocarbons ....................................... 489
L. Sehabiague, R. O. Lemoine, A. Behkish, Y. J. Heintz, M. Sanoja, R. Oukaci, B. I. Morsi
Microkinetic Modeling Study of Steady-State No Reduction By H2 on Pt/BaO/Al2O3 Monolith Catalysts.................................................................................................. 490
J. Xu, V. Balakotaiah, M. P. Harold
Autothermal Reforming of Heavy Hydrocarbons ........................................................................ 491J. F. Akyurtlu, V. Khaikine, A. Akyurtlu
Using Life Cycle Assessment (Lca) To Focus Catalysis Research ........................................... 492P. A. Holman, J. H. Holles, D. R. Shonnard
Chloride Extraction from Crude Oil Using a Microwave Oven ................................................... 494S. Taylor
New Spectroscopic Evidence for the Formation of Ga-H Hydrides in Supported Gallium Oxide Catalysts ................................................................................................................. 495
A. I. Serykh, F. Patcas, M. D. Amiridis
Optimal Design of Three Way Catalytic Converters To Reduce Cold Start Emissions ........................................................................................................................................ 496
D. Bhatia, M. P. Harold, V. Balakotaiah
Averaged Multi-Mode Models for Multiphase Catalytic Reactors .............................................. 497S. Y. Joshi, M. P. Harold, V. Balakotaiah
Durability And Catalytic Activity Study of Carbon Nanotubes Supported Pt Nanoparticles Electrocatalysts for Proton Exchange Membrane Fuel Cells............................ 498
Z. Chen, Y. Yan
Performance Analysis of Mixed-Conducting Ceramic Membranes for Membrane Reactor Applications ...................................................................................................................... 499
Q. Jiang, S. Faraji, D. A. Slade, K. Nordheden, S. Stagg-Williams
Recovery of Cobalt from Spent Catalyst Using Edta as a Chelating Agent ............................. 500B. Singh, K. K. Pant, V. V. Krishnan, K. D. P. Nigam
A Reaction Model for the Hydroconversion of 2-Methylnaphthalene Over Pt/mordenite Catalysts ................................................................................................................... 501
M. G. Villaseñor, H. González
Synthesis and Characterization of Ni-Mo-W Sulfide Catalysts Supported on Aluminum-Titanium Mixed Oxides ................................................................................................ 512
V. Ruiz-López, J. L. Rico-Cerda, M. A. Morales-Cabrera, F. Paraguay-Delgado, J. Espino-Valencia
Electrochemical Preferential Oxidation: A Novel Approach To Enhance Kinetics And Thermodynamics of Carbon Monoxide Oxidation............................................................... 518
S. Vilekar, R. Datta
Kinetic Modeling of Hydrodesulfuration of Dibenzothiophene with Ni-Mo-W Catalysts Supported on Aluminum-Titanium Mixed Oxides ...................................................... 519
J. Torres-Martínez, V. Ruiz, J. L. Rico-Cerda, J. Espino-Valencia, M. A. Morales-Cabrera
Kinetic Study of S-Alkylation of 2-Mercaptobenzimidazole Catalyzed By Tetrabutylammonium Bromide ...................................................................................................... 526
M. L. Wang, B. L. Liu
Investigation of The Mechanism of Propane Ammoxidation Over Mo-V-Te-Nb-O Mixed Oxide Catalyst System ........................................................................................................ 527
N. R. Shiju, V. V. Guliants
Parallel Multiphase Micro-Packed Bed Catalyst Testing ............................................................ 529D. Van Herk, N. Marquez, P. Castaño, M. T. Kreutzer, M. Makkee, J. A. Moulijn
A Pd-Based Catalyst for Methanol Steam Reforming in a Portable Power Fuel Cell Application....................................................................................................................................... 530
Y. Liu, O. Ilinich, B. Farrauto, C. Castellano, G. Koermer, A. Moini
Characterization of Cu and Pd Chemical and Alloy States in CuO/ZnO/ZrO2-Pd Catalysts for Hydrogen Production by Methanol Partial Oxidation .......................................... 531
S. J. Schuyten, J. T. Miller, E. E. Wolf
Steam Reforming of Dimethyl Ether by Use of Catalyst Mixture of Cu/Zn Loaded Carbon Catalyst and ř⛥ÂñAl2O3 ......................................................................................... 534
S. Kudo, T. Maki, K. Miura, K. Mae
Investigation Into The Role of Various Dopant Ions on The Ht-Wgs Activity of Modified Ferrites ............................................................................................................................. 542
A. Khan, P. Smirniotis
Kinetics and Drifts Study of Water-Gas Shift Reaction on Supported Pt Catalysts ................ 543L. Bollmann, A. M. Joshi, W. D. Williams, J. L. Ratts, J. T. Miller, W. N. Delgass, F. H Ribeiro
Reaction-Relevant Gold Structures for Low Temperature Water-Gas Shift Catalysis .......................................................................................................................................... 544
W. Deng, Y. Zhai, M. Flytzani-Stephanopoulos, A. Frenke
Zeolite-L and Zeolite-Y Supported Platinum Catalysts for Aqueous Phase Reforming of Methanol and Ethanol Solutions to Hydrogen ..................................................... 550
Z. Tang, J. Dong
Modeling of Combustion Wave Propagation in Heterogeneous Mixtures for Hydrogen Generation ..................................................................................................................... 553
M. Diwan, M. Medde, E. Shafirovich, A. Varma
Intensity and Efficiency of Idealized Spray-Fed Adiabatic Chemical Reactors........................ 554D. E. Rosner, M. Arias-Zugasti, M. Labowsky
A Graph-Based Approach for Developing Adaptive Representations of Complex Reaction Mechanisms .................................................................................................................... 557
K. He, M. G. Ierapetritou, I. P. Androulakis
Identification of Lower Dimensional Manifolds for Turbulent Reacting Systems Via Principal Component Analysis................................................................................................ 559
A. Parente, J. C. Sutherland, L. Tognotti, P. J. Smith
Kinetic Mechanism Reduction By Simultaneous Reaction And Species Elimination ....................................................................................................................................... 567
A. Mitsos, G. M. Oxberry, P. I. Barton, W. H. Green Jr.
A New Assessment of the Finite Biot Number Correction to Thermal Ignition Tests ................................................................................................................................................. 570
D. R. Morrison, R. A. Ogle, D. Gidaspow
Correlations between Fuel Structural Features and Benzene Formation................................. 581H. R. Zhang, E. G. Eddings, A. F. Sarofim
Effects of Condensate Layers on the Light Scattering and Absorption of Combustion Soot Aerosols............................................................................................................ 589
T. Ring, A. Sarofim, K. Kelley, T. Henriksen, D. Call, E. Eddings
Reforming Kinetics of Methane, Ethane and Ethanol within a Ni-YSZ Anode.......................... 597G. K. Gupta, A. Joshi, A. M. Dean, B. Turman, H. Zhu, R. J. Kee, N. Sullivan
Novel Doped Zinc Oxide Sorbents for Regenerable Desulfurization Applications At Ambient Conditions ................................................................................................................... 602
H. Yang, B. J. Tatarchuk
Experimental and Modeling Analysis of C6 Isomers: Implications for Solid-Oxide Fuel Cell Operation ......................................................................................................................... 603
K. L. Randolph, A. M. Dean
Incorporating Oil-Sands Heavy Oils into Fluid Catalytic Cracking FeedstocksóSome Observations from a Comprehensive Study ............................................. 609
S. H. Ng, J. Wang, A. Humphries, T. Dabros, S. Yui
Experimental and Modeling Analysis of N-Butane, Isobutane, Isobutylene and 1-Butene: Implications for SOFC Operation.................................................................................... 618
A. A. Shoaibi, M. Ratcliff, A. Dean
Selectivity And Reactivity of Ag Based Adsorbents During Desulfurization of Logistic Fuels .................................................................................................................................. 626
S. Nair, H. Yang, B. Tatarchuk
In Situ Ftir Study of Catalytic Partial Oxidation of Methanol on Pt/Al2O3 ................................ 627C. Cao, K. L. Hohn
Production of Hydrogen by Cold Plasma Catalyzed Reforming of Heavy Hydrocarbons .................................................................................................................................. 634
L. Frost, J. Hartvigsen, S. Elangovan
Microstructured Reactors for Catalytic Reforming of Higher Hydrocarbons........................... 639J. Thormann, P. Pfeifer, U. Kunz, K. Schubert
Dual Bed Distributive Membrane Reactor for The Oxidation of Hydrocarbons ....................... 644C. M. O'Neill, E. E. Wolf
Autothermal Catalytic Partial Oxidation of Methane on Rh And Pt Foam Catalysts – A Comparison By Means of Spatial Profiles ............................................................................. 646
R. Horn, K. A. Williams, N. J. Degenstein, A. Bitsch-Larsen, D. D. Nogare, S. A. Tupy, L. D. Schmidt
Monolithic Reactor And Particle-Packed Monolithic Reactor for Three-Phase Catalytic Reactions ......................................................................................................................... 648
T. Bauer, S. Haase, M. H. Al-Dahhan, R. Lange
Removal of Hydrogen Sulfide from Coal Gases, Using a Monolithic Catalyst Reactor ............................................................................................................................................. 649
K. C. Kwon, C. Burnell, T. Allen, R. Lewis
A Novel Photocatalytic Monolith Reactor for Multiphase Heterogeneous Photocatalysis................................................................................................................................. 666
J. T. Carneiro, P. Du, J. A. Moulijn, G. Mul
Partial Oxidation of Methane And Propane With Sulfur Effects Over Rh-Coated Monolith : Spatially Resolved Intra-Channel Species And Temperature Measurements And Modeling ........................................................................................................ 674
W. P. Partridge, J. S. Choi, G. B. Fisher, L. C. Maxey, E. C. Tan, J. G. Weissman, J. E. Kirwan
High Temperature H2S Removal from Fuel Gas Streams by Lanthanide Oxides .................... 676I. Valsamakis, Z. Wang, R. Si, M. Sakbodin, M. Flytzani-Stephanopoulos
Counter-Current Autothermal Reactors for Hydrogen Generation: Modeling And Dynamic Analysis ........................................................................................................................... 681
M. Baldea, M. Zanfir, P. Daoutidis
Micro Reactors With Pd/hollow Fiber Composite Membranes for Pure Hydrogen Production From Ethanol Reforming............................................................................................ 683
G. B. Sun, K. Hidajat, S. Kawi
Simulation of Start-up in a Double-Jacketed Membrane Reactor on Methanol Steam Reforming ............................................................................................................................ 684
C. H. Fu, J. C. S. Wu
Design of a Heat Exchange Reformer for Methanol Steam Reforming ..................................... 693C.P. Thurgood, G. Olynyk
Over 90% Ultra Pure H2 Yield at Liter Per Minute Level Flows by Ethanol Fuel Processing Demonstrated by Completing Wgs Reaction in a Compact and Robust Micro-Channel Catalytic Membrane Reactor .................................................................. 703
J. Mettes, B. Nair, P. Bossard
Automated Reaction Mechanism Generator and Application to Model Hexadiene Doped Methane Flames .................................................................................................................. 707
S. Sharma, C. S. McEnally, L. D. Pfefferle, W. H. Green
Understanding The Chemical Effects of Increased Boost Pressure Under Hcci Conditions ....................................................................................................................................... 716
E. J. Silke, W. J. Pitz, C. K. Westbrook, M. Sjöberg, J. E. Dec
Kinetics of Enol Formation from Reaction of Oh with Propene................................................. 718L. K. Huynh, H. R. Zhang, S. Zhang, E. Eddings, A. Sarofim, P. R. Westmoreland, T. N. Truong
Shock Tube Study of Dissociation and Relaxation in 1,1-Difluoroethane and Vinyl Fluoride ............................................................................................................................................ 724
H. Xu, J. H. Kiefer
Theoretical Kinetics of Halogen-Oxidized Hg .............................................................................. 732T. Okano, J. Wilcox
Thermal Decomposition of Fluoroethane: A Shock Tube Time of Flight Mass Spectrometry Study ........................................................................................................................ 733
R. S. Tranter, B. R. Giri
Measuring Vinyl Radical Kinetics with a Flash-Photolysis Picosecond Ti:Sapphire Laser Absorption Spectrometer .................................................................................................... 734
H. Ismail, P. R. Abel, C. F. Goldsmith, W. H. Green, L. E. Jusinski, C. A. Taatjes
Reflected Shock Tube Kinetics Studies of Combustion Reactions Involving Oh-Radicals ........................................................................................................................................... 743
J. V. Michael, N. Srinivasan
Detailed Chemical Kinetic Mechanism for Biodiesel Surrogate ................................................ 744O. Herbinet, W. J. Pitz, C. K. Westbrook
Integrating Catalyst, Ionomer, And Gas Diffusion Layer Into A Nanoporous Architecture ..................................................................................................................................... 745
B. J. Berron, G. K. Jennings, E. Graybill
Molecular-Level Modeling of the Structure and Wetting of Electrode/electrolyte Interfaces ......................................................................................................................................... 746
J. Liu, M. E. Selvan, S. Cui, B. J. Edwards, D. J. Keffer, W. V. Steel
Nanostructured Pem Fuel Cell Electrodes With Carbon Nanotubes ......................................... 747Y. Xing, L. Li, L. Ren, S. M. Rao
Template Wetting of Metallic Nanostructures for Fuel Cell Catalysis and Biocatalysis Applications .............................................................................................................. 748
S. A. Gold, S. Eklund, C. K. Reddy, A. Gurjar
An Increased Activity for the Direct Formic Acid Fuel Cell by the Addition of Metal Adatoms to the Palladium Black Anode Catalyst ........................................................................ 749
J. L. Haan, Z. Dunbar, R. I. Masel
Sources of Performance Degradation During Long Duration Operation of a Formic Acid Fuel Cell and Techniques for Enhancing Stability ................................................ 750
Z. Dunbar, J. Haan, R. Morgan, R. I. Masel
Microfibrous Entrapped Catalysts As Cathode Air Filters for Pem Fuel Cells......................... 751S. S. Punde, B. J. Tatarchuk
Cooperative Effects of Chlorine and Cesium on Surface Structure and Oxidation Reactivity of Ag(111)....................................................................................................................... 752
L. Zhou, W. Gao, R. J. Madix
Nitric Oxide Reduction on Transition Metals ............................................................................... 753F. Mehmood, M. Mavrikakis
Oxidation of NO to NO2 on The low index crystal faces of Platinum: A Kinetic and in Situ XPS Study ............................................................................................................................ 754
A. Smeltz, S. Mulla, D. Zemylanov, R. Rioux, W. Epling, B. S. Mun, F. Ribeiro
Towards Understanding Chlorine Promotion of Partial Oxidation on Au: Interactions of Oxygen And Chlorine on Au(111)........................................................................ 758
W. Gao, L. Zhou, D. S. Pinnaduwage, T. A. Baker, C. Friend
Ab-Initio And Molecular Dynamics Study of Cobalt Nanoparticle Catalyst for Fischer-Tropsch Synthesis ............................................................................................................ 759
C. Ghosh, S. K. R. S. Sankaranarayanan, V. R. Bhethanabotla, B. Joseph
Silane Adsorption And Silane Oxidation on Pd(111) .................................................................. 761D. C. Kershner, J. W. Medlin
Nanocages: A New Form of Catalytic Materials .......................................................................... 763J. K. Lee, C. M. Downing, Y. W. Suh, M. C. Kung, H. H. Kung
Cooperative Inorganic-Organic Ligands for Designing Supported Metal Oxide Catalysts .......................................................................................................................................... 764
J. M. Notestein, A. Katz, E. Iglesia
Highly Dispersed Noble And Base Metals on Amorphous And Mesoporous Silica Via Strong Electrostatic Adsorption ............................................................................................. 766
L. Jiao, J. R. Regalbuto
Successive Ionic Layer Deposition of Oxide Nanolayers........................................................... 767T. I. Gilbert, J. Schwank
Morphology And Diffusion Mechanism of Platinum Nanoparticles on Carbon Nanotube Bundles .......................................................................................................................... 768
B. H. Morrow, A. Striolo
Impact of Impregnation and Drying on the Metal Distribution in Supported Catalysts .......................................................................................................................................... 769
X. Liu, B. Glasser, J. Khinast
Pt Nanoparticle Electrocatalyst Synthesis for Direct Alcohol Fuel Cells ................................. 770J. Kitchin
Ambient Temperature Carbon Monoxide Oxidation Using Microfibrous Entrapped Catalysts .......................................................................................................................................... 771
S. S. Punde, B. J. Tatarchuk
Synthesis of Sulfonic Acid-Functionalized Monodispersed Mesoporous Silica Spheres And Their Catalytic Activity For Condensation Reactions.......................................... 772
K. Yano, T. Suzuki
Synthesis And Reactivity of Pt Nanowires And Nanoparticles In Aerosol-Derived Silica Templates .............................................................................................................................. 773
J. P. Gabaldon, T. R. Conant, L. R. Houk, A. Datye
Mesoporous Crystalline Metal Oxide Supported Au Catalysts .................................................. 774D. Wang, Z. Ma, S. Dai, J. Liu, Z. Nie
High Loadings of Pre-Synthesized Metal Nanocrystals In Mesoporous Silica ........................ 775G. Gupta, M. N. Patel, A. Heitsch, D. Ferrer, M. Jose-Yacaman, B. A. Korgel, K. P. Johnston
High Yield of Single-Walled Carbon Nanotubes (Swnts) on C10 Co Incorporated Mcm-41 (Co-Mcm-41) Catalyst ....................................................................................................... 776
N. Li, S. Lim, F. Fang, M. Pinault, G. L. Haller, L. D. Pfefferle
Spectroscopic Investigation of Microporous Titanosilicate ETS-10 Crystals of Controlled Morphology, Size and Defect Concentration ............................................................ 777
Z. Ji, J. Warzywoda, R. F. Howe, T. Goodrich, Z. Cai, K. Ziemer, A. Sacco Jr.
Synthesis, Characterize And Catalytic Performance of Highly Dispersed Co Sba-15 Catalyst ....................................................................................................................................... 779
C. Wang, G. Du, N. Li, C. Zoican, S. Lim, G. L. Haller
Reaction Circuitry of Methane Steam Reforming on Ni (111): Kinetics And Mechanism....................................................................................................................................... 780
S. Vilekar, I. Fishtik, R. Datta
Dry Reforming And Steam Reforming of Methane By Ni-W-C And Co-W-C ............................. 781H. Shao, E. L. Kugler, D. B. Dadyburjor
Transient Characteristics of a Heat Exchange Reformer for Methanol Steam Reforming ........................................................................................................................................ 782
C. P. Thurgood, G. Olynyk
An Autothermal Reformer Based on Porous Ni Plates for Hydrogen Generation ................... 789S. W. Nam, J. Han, S. P. Yoon, H. Y. Ha, T. H. Lim, S. A. Hong
Characterization of Carbon Deposited on Ni/ce-Zr-O Isooctane Autothermal Reforming Catalysts ....................................................................................................................... 790
J. Schwank, A. R. Tadd, X. Chen
Microkinetic Model on The Basis of Density Functional Theory Results for Methanol Synthesis on Cu(111)..................................................................................................... 791
L. C. Grabow, M. Mavrikakis
Mechanistic Studies of the Steam Reforming of Methanol on Pdzn Alloy Catalysts .............. 792E. Jeroro, J. M. Vohs
Surface Chemistry of Carbon on Ni And Ni-Alloys: Promotion of The Long-Term Stability of Reforming Ni Catalysts By Surface Alloying............................................................ 793
S. Linic, E. Nikolla
Tuning Surface Reactivity Through Electronic Structure Changes In Alloys .......................... 794M. P. Hyman, W. Medlin
The Influence of Surface Hydroxyls on Catalyzed Tetrakis(Dimethylamino) Ethylene Chemiluminescence ....................................................................................................... 795
C. C. Huang, K. L. Hohn
Sequestration and Selective Oxidation of Carbon Monoxide on Graphene Edges ................. 797S. Paul, E. E. Santiso, K. E. Gubbins, M. B. Nardelli
Quantum Mechanics Study of Decomposition of CF3OCF3 And (CF3CF2)2O Catalyzed By AlF3 ........................................................................................................................... 798
B. Jiang, D. J. Keffer, B. J. Edwards
Ab Initio Study into the Mechanism of the Thermal Decomposition of Acyclic Polysulfides ..................................................................................................................................... 800
A. G. Vandeputte, M. F. Reyniers, G. B. Marin
An Ab Initio Study of Atmospheric Selenium And Arsenic Reactions...................................... 812M. Lindblad, J. Wilcox
Solvent Effects In The Hydrogenolysis Pathways of Propionic Acid........................................ 813N. K. Sinha, M. Neurock
A Graph-Theoretic Approach To Hydrogen Oxidation Reaction ............................................... 816S. Vilekar, I. Fishtik, R. Datta
Thermogravimetric Analysis of Atr Coke Products: Reaction Mechanism for Iso-Octane Decomposition Over Nickel Catalysts ............................................................................. 817
T. A. Westrich, X. Chen, J. Schwank
Atr Reforming of Tetradecane (C14H30): A Mechanistic Explanation for Hydrogen And Carbon formation .................................................................................................................... 818
M. J. Castaldi, L. Dorazio
Severe Pyrolysis of The C10 Hydrocarbons N-Decane, Cyclodecane and Decahydronaphthalene, With Graph-Theoretic Interpretations ................................................. 819
P. S. Virk
Microwave Reaction Engineering: Penetration Depth And Overheating .................................. 820G. A. Tompsett, M. Gharibeh, W. C. Conner, S. Auerbach, S. Yngvesson
Synthesis of Mo-V-Te-Nb-O Mixed Oxide Catalyst By Microwave-Assisted Hydrothermal Method ..................................................................................................................... 822
N. R. Shiju, Vadim V. Guliants
Preparation, Characterization, and Evaluation of Bimetallic Catalysts Prepared by Electroless Deposition Methods ................................................................................................... 825
J. R. Monnier, M. T. Schaal, C. Williams
Highly Dispersed Bimetallic Catalysts By Selective Adsorption of Metal Complex on Mixed Metal Oxides ................................................................................................................... 827
L. D'Souza, J. Regalbuto
Design, Preparation And Characterization of Bimetallic/trimetallic Nanoparticle Catalysts .......................................................................................................................................... 828
C. J. Zhong, J. Luo, D. Mott, P. Njoki, L. Wang, Z. Xu
Fine Tuning of Mo-V-Te-Nb-O Catalyst By Multi-Staged Synthesis .......................................... 829K. Y. Cha, E. K. Song, H. J. Cho, J. D. Kim
Mixed Metal Oxide Loaded Nano Zsm-5 Catalyst for The Transesterification of Soybean Oil With Methanol............................................................................................................ 830
M. Kim, J. Wilson, S. O. Salley, K. Y. S. Ng
Investigations of Ge,Al-Zsm-5; Influence of Heteroatoms on Growth Rates And Local Structural Ordering of Ge And Al........................................................................................ 831
D. F. Shantz, C. H. Cheng, A. Ghosh, G. Juttu, S. Mitchell
Synthesis of Mesoporous Zsm-5 Composites Using a Single Template .................................. 832J. Wang, M. O. Coppens
Synthesis, Characterization And Catalytic Performance of Highly Dispersed Vanadium Grafted Sba-15 Catalyst ............................................................................................... 833
G. Du, S. Lim, M. Pinault, C. Wang, F. Fang, L. D. Pfefferle, G. L. Haller
First Unseeded Hydrothermal Synthesis and Preliminary Characterization of Large-Pore Vanadosilicate aM-6 Crystals .................................................................................... 834
M. N. Ismail, O. Ozkanat, Z. Ji, J. Warzywoda, A. Sacco Jr.
Synthesis of Boron Single-Wall Nanotube Using Optimized Mg-Mcm-41 ................................ 836F. Fang, M. Pinault, D. Ciuparu, C. Anderson, C. Wang, L. Pfefferle
Mesoporous Silica Catalysts Containing Sulfonic Acid and Thiol Groups Organized on the Surface at Varying Distances .......................................................................... 837
E. L. Margelefsky, R. K. Zeidan, M. E. Davis, V. Dufaud
Basicity and Catalytic Activity of Organic Base-functionalized Mesoporous Silica ............... 838S. L. Hruby, B. H. Shanks
Preparation of Heterogeneous Catalyst for Biodiesel Synthesis .............................................. 839I. Z. Luki?, A. M. Orlovi?, D. U. Skala
Tuning Catalyst and Process for Biodiesel Production by Means of Emulsion and Ultrasonic Pretreatment ................................................................................................................. 848
X. Ye, S. D. Fernando
Influence of Phosphorous on The Heterogeneous Catalytic Cracking of Lipids for Green Diesel Production ................................................................................................................ 849
S. Dufreche, R. Hernandez, T. French, M. G. White, E. Alley, W. E. Holmes
Identification of The Cracking Mechanism of Mono-, Di-, And Triglycerides Over H-Zsm-5 Catalyst............................................................................................................................. 850
T. J. Benson, R. Hernandez, W. T. French, M. G White, W. E. Holmes, E. G. Alley
Ethylene Glycol Precursor Synthesis Via Formaldehyde Carbonylation Over Solid Acids................................................................................................................................................. 851
F. E. Celik, A. T. Bell
Replacing Methanol By Methyl Bromide: Highly Efficient Conversion of Methane To Light Hydrocarbons................................................................................................................... 852
N. Osterwalder, W. J. Stark
A First Principles Analysis of The Mechanism for The Electroreduction of Oxygen Over Pt ............................................................................................................................................. 854
M. Janik, M. Neurock
Oxygen Reduction on De-Alloyed Pt-Cu Nanoparticle Electrocatalysts: Fundamental Structure-Performance Relationships And Pem Single Cell Measurements ................................................................................................................................. 856
P. Strasser, S. Koh, P. Mani, C. Yu, R. Srivastava
Manipulation And Patterning of Surface Hydrogen Concentration on Pd(111) By Electric Fields.................................................................................................................................. 857
A. U. Nilekar, T. Mitsui, E. Fomin, D. F. Ogletree, M. Salmeron, M. Mavrikakis
First-Principles Investigations of Electrochemical Oxidation Reactions at Solid Oxide Fuel Cell Operating Conditions .......................................................................................... 858
J. Mukherjee, S. Linic
First Principles Investigation of Electrocatalysts for Oxygen Reduction Reaction ................ 859S. Kandoi, S. M. Opalka, L. V. Protsailo, T. H. Vanderspurt
Efficient Electrochemical Generation of Ozone from Water with a Novel Electrode Material............................................................................................................................................. 860
K. Y. Chan, Y. Wang, B. Wang, Y. Cui, X. Li
Reactivity And Catalytic Life of Nanoalloys in Acid Medium ..................................................... 868P. Balbuena, S. Calvo, G. R. Caballero, L. Garzon, Y. Ma, Z. Gu
Synthesis of Pyrophoric Nanoparticles from Fe-Oxalate ........................................................... 869R. Shende, A. Vats, D. Kapoor, J. A. Puszynski
High Temperature Synthesis of Carbon Nanotube Reinforced Titanium Diboride-Titanium Carbide Composites ....................................................................................................... 875
L. J. Groven, J. A. Puszynski
Combustion Synthesis of Solid Oxide Fuel Cell (SOFC) Cathode Materials ............................ 882S. Lin, J. Selig