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