Topic 01.  Molecular Modeling in CRE

Abstract Number (for Registration) Submitting Author Title
068

Jalili

Statistical Mechanical Treatment of Hydrocarbon Adsorption on Zeolites. Adsorption on Silicalite of Benzene and Alkane Binary mixtures.

085

Callaghan

Reaction Route Graphs as a Tool for Microkinetic Modeling and Reduction: Application to the Water-Gas-Shift Reaction

110

Pellegrini

N-paraffins hydrocracking model

117

McLeod

A Monte Carlo Study of The Selective Hydrogenation of Acetylene

122

Surla

A single events kinetic model : n-butane Isomerization

126

Narasimhan

Relumped single event microkinetic model for alkane hydrocracking on shape selective catalysts : Catalysis on ZSM-22 pore mouths, bridge acid sites and micropores.

134

Majumder

Modeling 'Molecular Square' Catalysts: A Multiscale Approach

160

Chew

Chemical System Identification in Liquid Phase Transition-Metal Homogeneous Catalysis.

169

Sheintuch

Analysis of a carbon membrane reactor : from atomistic simulations of single file diffusion to reactor design

173

Tuttlies

A mechanistic simulation model for NOx storage catalyst dynamics.

206

Simoes

Study of 4,6-bis(nitroamino)-1,3,5-triazin-2(1\emph{H})-one,related tautomers and conformers

218

Bhan

Microkinetic Modelling of Light Paraffin Aromatization on ZSM-5 based Catalysts

233

Vlachos

Molecular modeling of water gas shift and preferential oxidation of CO reactions

249

Hsu

Rule-Based Refinement and Feature Matching in Kinetic Modeling

272

Iyengar

Dynamic Monte Carlo Simulations of Multi-Component Diffusion in Zeolites:  Effect of Strong Adsorption Sites

286

Gracia

Non-isothermal dynamic Monte Carlo simulations of CO oxidation on Pt Supported Catalysts

315

Hudebine

Molecular Reconstruction of LCO Gasoils from Overall Petroleum Analyses

 

Topic 02.  Microreaction Technology

Abstract Number (for Registration)

Submitting Author

Title

020

Tonkovich

Microchannel Process Technology (MPT)™ for Compact Methane Steam Reforming

034

Brandner

Heterogeneously catalysed oxidation of Carbon Monoxide under Fast Temperature Cycling conditions

123

Cao

Oxidative Dehydrogenation of High Molecular Weight Alcohols in Microreactors

179

Hao

Study on the hydrodynamics and gas mixing of carbon nanotubes (CNTs) in a Nano-Agglomerates Fluidized Bed (NAFBR)

189

Delsman

Development of a microstructured preferential CO oxidation reactor û heat exchanger device for a portable methanol fuel processor

239

Leung

Properties of Free Standing Zeolitic Micromembrane Separator with different Si/Al ratio

298

Fino

Compositional and structural optimal design of a nanostructured diesel-soot combustion catalyst for a fast-regenerating catalytic trap

 

Topic 03.  High Throughput Synthesis and Screening

Abstract Number (for Registration)

Submitting Author

Title

201

Mills

FastCat Reactor for HTS of Gas-Solid Catalyzed Reactions

215

Akporiaye

Combinatorial Chemistry for Heterogeneous Catalysis: Parallel Reactor Systems for flexible screening and optimization

 

Topic 04.  Fuel Cells

Abstract Number (for Registration)

Submitting Author

Title

003

Vasileiades

Biomass reforming process for integrated solid oxide fuel cell power generation

010

Li

Study on CO2 Reforming of Methane to Syngas over Al2O3-ZrO2 Supported Ni Catalysts Prepared via a Direct Sol-gel Processing

052

Mangold

Physical model development, model reduction, and observer design of a molten carbonate fuel cell

053

Mangold

Nonlinear Analysis of Current Instabilities in High Temperature Fuel Cells

182

Gritsch

Integrated Concepts for the Decentralized Production of Clean Hydrogen

210

Thurgood

Methanol-Steam Reforming in a Packed-bed Reactor: Inclusion of Radiative Heat Transfer

279

McGinn

Combinatorial Processing and Screening of Thin Films for Fuel Cell Electrode Applications

 

Topic 05.  Novel Reactors and Processes

Abstract Number (for Registration)

Submitting Author

Title

005

Vandu

Hydrodynamics and Mass Transfer in an Upflow Monolith Loop Reactor

011

Prabhu

Optimization of Multiple frequency Sonochemical Reactors 

037

v. Zedtwitz

Radiative transfer within a fluidized bed reactor for steam-gasification of coal

040

Lavanchy

Reaction Calorimetry in Supercritical Carbon Dioxide

044

Glouchenkov

Pulsed compression reactor: advanced technology for synthesis gas production

047

Mikkola

Microwave Dielectric Heating as a Gateway to Process Intesification

066

Tronconi

Monolithic catalysts with 'high conductivity' honeycomb supports for gas/solid exothermic reactions: characterization of the heat-transfer properties

067

Perperi

A Novel Continuous Homogeneous Catalytic Process for Fluorous Biphasic Systems

111

Andersson

Development of a multi-scale simulation method for design of novel multiphase reactors

127

Stroehlein

Design of stationary phase properties for optimal performance of reactive simulated-moving-bed chromatography

129

Hoek

Performance of the Monolithic Stirrer Reactor: applicability in multi-phase applications

147

Fayyaz

Nanoporous Silicon Carbide Membranes, Preparation and Reactive Applications

150

Ikushima

A one-step production of fine chemicals using supercritical water : an environmental benign application to the synthesis of monoterpene alcohol

172

Schildhauer

Application of film-flow-monoliths and structured packings in reactive stripping 

175

Wang

Direct Synthesis of Oxygenates from Water Vapour and Methane via Glow Discharge with Rotating Ploy-tip Electrodes

196

Li

Pattern-enhanced micro-fluidized bed reactor

202

Mascolo

Process Intensification, Characterization, and Control of Reactive Systems

229

Liu

Gas-Liquid-Solid Catalytic Hydrogenation Reaction in a Single Monolith Channel

247

Liu

Effect of Monolith Catalyst Channel Shape on Gas-Liquid Catalytic Performance

250

Jin

Catalytic hydroformylation of 1-octene in CO2-expanded solvent media

251

Tota

Analysis of tubular packed-bed membrane reactors based on nonûisothermal 2D-reactor models

252

Pareek

Light Intensity Distribution in Photocatalytic Reactors: Effect of Catalyst Loading and Wall Reflectivity

258

Harrod

Hydrogenation at Supercritical Single Phase Conditions

268

Hunter

Acid- and Base-Catalyzed Organic Synthesis in High-Temperature Liquid Water 

301

Kritzinger

Hydrodynamics of a novel monolithic stirrer reactor û Experiments and numerical simulations

306

Reis

Residence times and mixing of a novel continuous oscillatory flow meso rector

307

Kiwi-Minsker

Loop Reactor Staged with Structured Catalytic Layers for Liquid-Phase Hydrogenation

319

Qin

Towards More Effective Reactor Configurations for FTS. Issues of Selectivity, Catalyst Life and Safety

 

Topic 06.  Biological and Biochemical Reaction Engineering

Abstract Number (for Registration)

Submitting Author

Title

007

Venu Vinod

Simulation of Biodegradation of Synthetic Wastewater at Higher Concentrations in a Fluidized-Bed Bioreactor with an Internal Draft tube

009

Bhatia

Modeling of Enzymatic Membrane Reactor for the Resolution of Racemic Ibuprofen Ester.

022

Ravinder

Design of SSF bioreactor for food enzymes production

057

Al-Yemni

Hybrid Neural-Networks Modeling of an Enzymatic Membrane Reactor 

084

Broadbelt

Computational Framework for the Discovery of Novel Biotransformations

086

Ravindra

Effect of biochemical reactions in enhancement of rate of leaching

090

Lin

Enrichment of n-3 PUFA Contents in Glcerides of Fish Oil by Lipase-Catalyzed Ester Interchange under Supercritical Conditions

118

McCoy

Models for Macromolecular Folding and DenaturationBased on Kinetics of Energy Landscapes

119

Pisu

Modeling of engineered cartilage growth in rotating bioreactors

145

de Lathouder

Structured Reactors for Enzyme Immobilization

146

del Amor Villa

Enzymatic Synthesis of Biotensides from Renewable Sources

164

Calik

Oxygen transfer effects on recombinant benzaldehyde lyase production

203

Ozdamar

Carbon sources create fingerprint fermentation characteristics : serine alkaline protease production

204

Senver-Ozcelik

Metabolic engineering of aromatic group amino acid pathway in bacillus subtilis of L-phenylalanine production

266

Pan

Modeling and Design of Biodegradable Polymeric Microspheres For Controlled Drugs Delivery

276

Chakraborty

Determinants of Pulmonary Oxygen Uptake: A Novel Multi-scale Engineering Approach

311

Young

Rational Design of Recombinant Organisms by the Cybernetic Modeling Approach

 

Topic 07.  Materials Synthesis and Processing

Abstract Number (for Registration)

Submitting Author

Title

032

Adrover

Structural modeling for the dissolution of non porous ores: Dissolution with sporulation

042

Mukai

Controlling the Micromorphologies of Porous Silica Gels Synthesized by Unidirectional Freeze-gelation

062

Rigby

Nanocasting of novel, designer-structured catalyst supports

153

Kawase

Chemical Vapor Deposition Rate of Pyrolytic Carbon from Hydrocarbons

181

Mukasyan

Microstructural correlations between reaction medium and combustion wave propagation in heterogeneous systems

183

Locci

Advanced modeling of self-propagating high-temperature synthesis

208

Resasco

Production of carbon nanotubes of controlled structure and development of nanotube-based materials  

293

Specchia

In-situ combustion synthesis of perovskite catalysts for efficient and clean methane pre-mixed metal burners

 

Topic 08.  Polymer Reaction Engineering

Abstract Number (for Registration)

Submitting Author

Title

46

Song

Property Control in a Continuous Polymerization Reactor using Wiener Model Predictive Controller with One Step Identification

101

De Roo

Estimation of intrinsic rate coefficients in vinyl chloride suspension polymerization

128

Ahmed

Continuous Precipitation Polymerisation of Vinylidene Fluoride in Supercritical Carbon Dioxide: Modelling the Molecular Weight Distribution

207

Harshe

Dynamic model for polypropylene fluidized bed reactor : PoRE

244

Sasaki

Reaction characteristic of decomposition of solid and high viscosity waste polymers in supercritical fluids.

259

Kosek

Morphogenesis of Polyolefin Particles in Heterogeneous Catalytic Reactors: Effect of Temperature

270

Vatanatham

Kinetic Rate of Emulsion Copolymerization of Styrene and Natural Rubber Latex

296

McCoy

Polymer Crosslinking Kinetics: Partitioning According to Number of Crosslinks

 

Topic 09.  Computational Fluid Dynamics in CRE

Abstract Number (for Registration)

Submitting Author

Title

013

Patwardhan

Optimization Of Gas – Liquid Reactor Using Computational Fluid Dynamics

050

Nijemeisland

Catalyst Design by CFD for Heat Transfer and Reaction in Steam Reforming

056

Liu

A Novel Coupled Riser-Downer Reactor: Industrial Trial and CFD Simulation of Reacting Flows

078

Bertola

Momentum and mass transfer in a swarm of bubbles: estimates from fluid-dynamic simulations

091

Rudniak

CFD Modelling of Chemical Reactors:Homogeneous and Heterogeneous Reaction

121

Deshpande

A Numerical Approach to Study Transport Limited Heterogeneous Reactions

131

Dakshinamoorthy

CFD Simulations to Study Early Shortstop of Runaway Reaction in Stirred Vessel

136

Kolhapure

Integrating CFD with condensation polymerization chemistry to optimize commercial multi-jet pipe reactors

158

Limtrakul

Modeling and Simulation of a Catalytic Gas-Solid Fluidized Bed Reactor via DEM

180

Guardo

Influence of the turbulence model in CFD modeling of wall-to-fluid heat transfer in packed beds

199

Ye

3D Discrete Particle Simulation of the Fluidization of Geldart A Particles

242

Li

Computational Fluid Dynamic Analysis of HVOFThermal Spray Processing of Nanostructured Coatings

243

Chen

Three Dimensional Simulation of Bubble Columns Flows: Influence of Bubble Coalescence and Breakup

260

Liu

Scale-up of Gas-Phase Chlorination Reactors Using CFD

263

van Wageningen

Numerical simulation of 'growing' Cu particles in a Kenics static mixer reactor in which Cu++ is reduced by carbohydrates

278

Sangalli

Micro combustion for localized heat generation/delivery

287

Hansen

A Three-Dimensional Simulation of Gas/Particle Flow and Ozone Decomposition in the Riser of a Circulating Fluidized Bed

 

Topic 10.  Environmental Reaction Engineering

Abstract Number (for Registration)

Submitting Author

Title

006

Rockstraw

Rapid oxidation of sulfide mine tailings by reaction with potassium ferrate

026

Anikeev

Decomposition and oxidation of aliphatic nitro compounds in supercritical water. Kinetics and effect of pressure

049

Arve

From a fixed bed Ag-alumina catalyst to a modified reactor design: how to enhance the crucial heterogeneous-homogeneous reactions in HC-SCR

051

Eftaxias

Catalytic Wet Air Oxidation of Phenol over Active Carbon: Trickle Bed Kinetics and Reactor Modelling

055

Dutta

Experimental Investigation of Taylor Vortex Photocatalytic Reactor for Water Purification 

075

Baik

Modeling of Urea-SCR Process to remove NO from Diesel Engine over CuZSM5 Catalyst

098

Lam

Photo-Doping Technique as a Novel Preparation Method for the Photo-Fenton Catalyst and its Potential Application for Wastewater Treatment

103

Ciardelli

SCR-DeNOx for Diesel exhaust aftertreatment: unsteady-state kinetic study and monolith reactor modelling

105

Langille

Ignition Enhancement by In Situ Generated C2 Additives for Natural Gas Practical Combustion Applications

113

Sum

Optimization, Characterization and Evaluation of Pillared Laponite Clay Based Fe-nanocompoiste for Photo Fenton Degradation of Acid Black 1

116

Salaices

Photo Absorption and Forward Scattering in TiO2 Photocatalytic Slurry Reactors

161

Miura

Analysis of Gasification Reaction of Coke Formed using A Miniature Tubing-Bomb Reactor and A Pressurized Drop Tube Furnace under High Pressure and High Temperature

162

Yang

Destruction of cationic ion-exchange resin in a molton salt oxidation reactor

167

Silva

Catalytic Wet Oxidation of Ethylene Glycol: Kinetics of Reaction on a CuO-MnOx Catalyst

177

Wang

Honeycomb monolith activated carbon catalyst for simultaneous SO2 and NO removal at low temperatures

178

Yin-Sheng

Degradation of p-chlorophenol with pulsed high-voltage discharge in aqueous solution

225

Kabin

Dynamics of Storage and Reaction in a Monolith Reactor:  Lean NOx Reduction

230

Sahni

Reactor Design Issues for Enhancing High Voltage Electrical Discharge Reactors to Degrade Aqueous Phase Contaminants

277

Henrikson

Explaining Inhibition and Acceleration of Phenol SCWO by Water

300

Saracco

A multifunctional filter for the simultaneous removal of fly-ashes and Nox from incinerator flue gases

312

Park

Chemistry of CO2 Mineral Sequestration via pH Swing Process: Kinetic and Mechanistic Studies on the Dissolution of Serpentine and Precipitation of MgCO3 

 

Topic 11.   Multiphase Reactors, incl. Pharmaceutical Applications

Abstract Number (for Registration)

Submitting Author

Title

002

Nuithitikul

Selective hydrogenation of cinnamaldehyde in biphasic system catalysed by chlorotris(m-trisulfonato triphenylphosphine) rhodium (I) complex, RhCl(TPPTS)3

004

Vandu

Volumetric mass transfer coefficients in slurry bubble columns operating in the heterogeneous flow regime

017

Urseanu

Estimation of trickle-to-pulse flow regime transition and pressure drop in high-pressure trickle bed reactors with organic liquids

021

Kafarov

Mathematical modeling of multifunctional reactors for direct conversion of methane to methanol

054

Quadros

Benzene nitration: validation of heterogeneous reaction models

060

Banchero

Conversion rate and mass transfer limitation in Trickle Bed Reactors in presence of a fast reaction

073

Bauer

Holdups and Pressure Drop in Multiphase Monolithic Reactors

080

Lindborg

Dynamic 2D simulation of the startup processes in circular two-phase bubble columns

081

Lange

Unsteady-State Operation of Trickle-Bed Reactors

082

Hindle

Comparison of a Stirred Tank Batch Reactor and a Trickle Bed Reactor for the Hydrogenation of p-toluidine

095

Vospernik

Movement of gas-liquid interface within a membrane wall and its effect on the performance of catalytic three-phase membrane reactor

125

Lim

New Insights to Trickle and Pulse Flow Hydrodynamics in Trickle-Bed Reactors using MRI

133

Raynal

Determination of mass transfer characteristics of co-current two-phase flow within structured packing

157

Kreutzer

Scale-up of Gas-Liquid Monolith Reactors

163

Bellos

Mass transfer and fluid dynamic effects on kinetic studies in small scale G-L upflow hydrotreaters

166

Plucinski

Liquid phase oxidations in multichannel reactor

187

Hickman

A Comparison of a Batch Recycle Reactor and an Integral Reactor with Fines for Scale-Up of an Industrial Trickle Bed Reactor from Laboratory Data

213

Lu

Simulation and Experiment Study of Dimethyl Ether Synthesis from Syngas in a Fluidized-Bed Reactor

214

Zhou

Reaction Kinetics Accompanied by Partial Internal Wetting of Catalysts under Elevated Temperature and Pressure

237

Guo

Liquid Holdup and Pressure Drop in the Gas-liquid Cocurrent Downflow Packed-bed Reactor under Elevated Pressures

248

Natividad

Analysis of the Performance of Single Capillary and Multiple Capillary (monolith) Reactors for the multiphase Pd-catalysed Hydrogenation of 2-butyne-1,4-diol

255

Miller

Packings for Fixed Bed Reactors and Reactive Distillation

269

Bove

A numerical study on coalescence and breakage in bubble column reactors

283

Bhusarapu

Quantification of Solids Flow in a Gas-Solid Riser: Single Radioactive Particle Tracking

305

Raffensberger

Analysis of Heterogeneously Catalyzed Fast Gas-Liquid Reactions

308

Fishwick

An Analysis of Particle-Liquid Slip Velocities in Multiphase Stirred Tank Reactors using Positron Emission Particle Tracking

 

Topic 12.   Catalytic Reactions and Reactors

Abstract Number (for Registration)

Submitting Author

Title

030

Tago

Control of Acid Site Distribution of MFI-type Zeolite by Selective Formation of SiO2 Unit Utilizing Silane Compounds with Different Molecular Sizes

031

Tago

Simultaneous Characterization of Acidic and Basic Properties of Solid Catalysts by a New TPD Method and Their Application to Analysis of Reaction Rate

036

du Toit

The pseudo-equilibrium effect caused by water on cation exchange resin catalysed reactions

065

Gallardo-Llamas

Iron zeolites for valorization of propane and N2O via oxidative conversions. Catalyst and reactor design for efficient process operation

088

Veser

Compensating and Predicting Catalyst Deactivation at High-Temperature Conditions through Reverse-Flow Reactor Operation

104

Ruthiya

Modelling the effect of catalyst particle lyophobicity on mass transfer and reaction rate at the gas-liquid interface in a gas inducing stirred slurry reactor

112

Shekhtman

State-by-State Transient Screening” of Multicomponent Oxide Catalyst in Thin-Zone Multi-Pulse TAP Experiments

137

Nijhuis

Development of spectroscopic control methods for heterogeneously catalyzed processes

148

Gruenewald

Enhanced catalyst performance using integrated structured functionalities

191

Hamminga

Real-time in situ FTIR and Raman analysis of the liquid phase hydrogenation of Maleic Anhydride over Ni-Al/Cu-Zn-Al catalysts

224

Li

Kinetics and Trickle-Bed Reactor Model for Direct Synthesis of Hydrogen Peroxide 

236

Ananieva

Direct gas-phase epoxidation of propene with nitrous oxide over modified silica supported FeOx catalysts

238

Kawanami

Effective carbon dioxide fixaiton from epoxides to cyclic carbonate by using supercritical CO2-ionic liuqid reaction system

240

Kolkowski

The temperature scanning plug flow reactor (TSPFR) applied to complex reactions - Oxidative dehydrogenation of propane as an example

292

Subramanian

Catalytic Partial Oxidation of Higher Hydrocarbons:Mixtures and Computational Modeling

299

Vijay

The Site-Juxtaposition model of catalyst deactivation: simulation and experiments during n-pentane isomerization on a highly active and stable Pt-sulfated zirconia catalyst.

314

Gupta

A New Technique For Studying The Internal Physical Structure Of A Supported Catalyst Or Sorbent Particle

 

Topic 13.   Reactor Dynamics and Control

Abstract Number (for Registration)

Submitting Author

Title

024

Rusli

Analysis and Design of Dynamically Coupled Multiscale Reactor Simulation Codes

025

Braatz

Multiscale Systems Engineering with Applications to Chemical Reaction Processes

048

Marwaha

Dynamics of Transversal Hot Zones in Shallow Packed-Bed Reactors.

071

Platte

Investigation of hybrid N2O-decomposition in structured catalyst beds under periodical operating conditions

072

Kurup

Optimal Design, Operation and Control of Different Variants of a Simulated Moving Bed Reactor

094

ten Kate

Hybrid Modeling as attractive modeling approach: a case study on chemical kinetics.

130

Wang

Analysis of the Complex Nonlinear Behavior of Reacting Bubbly Flows

176

Wang

Diffusion limitation in fast transient experiments

209

Sheintuch

Modeling Temporally-Complex Breathing Patterns during Pd-Catalyzed CO Oxidation

217

Bhattacharya

Low Dimensional Models for Homogeneous and Multiphase Stirred Tank Reactors

280

Ramaswamy

Steady State and Dynamic Reactor Models for Coupling Exothermic and Endothermic Reactions

289

Ni

Real-time Estimation and Feedback Control of Surface Roughness of PECVD Amorphous ZrO_2 Thin Film Growth

303

Kolios

A systematic approach for analyzing regenerative multifunctional reactors

318

Koci

Nonlinear dynamics of automobile exhaust gas converters: The role of nonstationary kinetics

 

Topic 14.   Advances in Industrial Processes

Abstract Number (for Registration)

Submitting Author

Title

043

Musakka

Mathematical modelling of liquid-phase decomposition through gas-phase product analysis

063

Haakana

Monolith reactors: scale-up and process intensification

064

Haut

Precipitation in industrial bubble column for production of sodium bicarbonate : modeling and experimental validation

089

Hoorn

A model for the oxidation of toluene under industrial conditions

096

Atias

Adsorption and Catalytic Reaction over FCC catalysts in a Novel Fluidized CREC Riser Simulator

100

Heynderickx

High-emissivity coatings on reactor tubes and furnace walls in pyrolysis furnaces

144

Waje

Engineering Aspects of Manufacturing Tri-n-Butyl Phosphate Esters

168

Schweitzer

Ebullated bed reactor modeling for residue conversion

195

Mueller

Extrusion and application of catalysts for the one-stage processing of dimethylmaleate to tetrahydrofuran

222

Ocaranza

Hydroconversion of model mixtures of FCC gasoline over metal-zeolite catalysts. Reaction study and mathematical modeling.

231

Melis

A Model for the Hydrogenation of Aromatic Compounds during Gasoil Hydroprocessing

241

Brandstaedter

Combined processing of n-butane and n-butenes to maleic anhydride

295

Cheng

Deep Removal of Sulfur and Aromatics from Diesel through Concurrently, Countercurrently and Semicountercurrently Operated Hydrogenation Reactors

302

Bixby

Modelling the Regeneration of Petroleum Processing Catalysts

304

Oinas

The effect of additives on industrial precipitation of a di-substituted benzoic acid