PROGRAM

CHEMICAL REACTION ENGINEERING VII: COMPUTATIONAL FLUID DYNAMICS

August 6 - 11, 2000
Radisson Hôtel des Gouverneurs
690, Boul. René-Lévesque Est.
Québec G1R 5A8, Canada
Tel: 1-418-647-1717 Fax: 1-418-647-2146

Conference Co-Chairs:
S. Sundaresan
Princeton University, USA
P.A. Gillis
Dow Chemical, USA

United Engineering Foundation, Inc.
Three Park Avenue, 27th Floor
New York, NY 10016-5902
Tel: 1-212-591-7836 Fax: 1-212-591-7441
E-mail: engfnd@aol.com Website: www.engfnd.org

The United Engineering Foundation, Conference Co-Chairs and Committee would like to thank the following for their support to the CHEMICAL REACTION ENGINEERING VII Conference.
AEA Technology, USA
Bristol-Myers Squibb Company
Chevron Research and Technology Co.
Dow Corning Corporation
E.I. DuPont de Nemours and Company
Elf Atochem North America, Inc.
Exxon Mobil Corporation
Fluent Incorporated
Millennium Inorganic Chemicals
Solutia Inc.
The Dow Chemical Company
UOP L.L.C.

Poster Session

Sunday, August 6, 2000

16:30 - 18:00 Conference Registration (Foyer)

18:30 - 20:00 Dinner (Lauzon)

20:00 - 21:00 Reception (Foyer)

Monday, August 7, 2000

07:00 - 08:15 Breakfast (Lauzon)

08:20 - 08:40 Opening Remarks (Duquesne)
Sankaran Sundaresan, Conference Co-Chair
Herman Bieber, Conference Liaison

Session 1: Gas-Liquid Flows (Duquesne)
Session Chair: Harry Van Den Akker (Delft University of Technology)

08:40 - 09:20 Gretar Tryggvason
University of Michigan, USA
"Direct Numerical Simulations of Multiphase Flow"

09:20 - 10:00 Gary Doolen
Los Alamos National Laboratory, USA
"A Brief Overview of the Lattice Boltzmann Method: Limitations, Capabilities and Some New Results on Rayleigh-Taylor Instabilities"

10:00 -10:30 Coffee Break (Foyer)

10:30 - 11:10 Harry Van Den Akker and Danny Lathouwers
Delft University of Technology, NETHERLANDS
"Modeling Turbulence in the Presence of Bubbles"

11:10 - 11:50 Gerhart Eigenberger
University of Stuttgart, GERMANY
"RANS-Simulations and Multi-Scale Modeling of Bubble Column Reactors"

11:50 - 12:40 L.-S. Fan, Warsito, D.J. Lee and Q.G. Yang
The Ohio State University, USA
"Experimental Frontiers in The Measurement of Gas-Liquid and Gas-Liquid-Solid
Flows"

12:40 - 13:00 Discussion

13:15 - 14:15 Lunch (Lauzon)

14:15 - 16:15 Ad hoc sessions and/or free time

Session 1: Gas-Liquid Flows (Continued) (Duquesne)
Session Chair: Harry Van Den Akker (Delft University of Technology)
Contributed papers [20 minutes per paper including Q&A]

16:30 - 16:50 Yi Jiang, Mohan R. Khadilkar*, Muthanna H. Al-Dahhan and
Milorad P. Dudukovic
Washington University in St. Louis, USA
* GE Plastics, USA
"Computation Fluid Dynamics Modeling of Fluid Flow in Packed Beds"

16:50 - 17:10 R.F. Mudde, R.S.Oey and H.E.A. Van den Akker
Delft University of Technology, THE NETHERLANDS
"Internal Air-Lift Loop Reactor: Two-Fluid Simulations Compared with Experiments"

17:10 - 17:30 Ludovic Raynal
Institut Francais du Petrole, FRANCE
"CFD Simulation of Bubble Column, Comparison to Experiments and Actual Limitations"

17:30 - 17:50 Coffee Break (Foyer)

17:50 - 18:10 Niels Deen, Tron Solberg and Bjorn Hjertager
Aalborg University, DENMARK
"Numerical Simulations of the Gas-Liquid Flow in 3-Dimensional Rectangular Bubble Columns"

18:10 - 18:30 Krishnan Sankaranarayanan, Ioannis G. Kevrekidis and Sankaran Sundaresan
Princeton University, USA
"Lattice Boltzmann Simulations of Gas-Liquid Bubbly Flows"

18:30 - 18:50 Kuniomi Asakura, Tomoyuki Ikeda, Hiroyuki Okamoto*, Toru Hirai* and
Iwao Nakajima
Hokkaido University, JAPAN
* Kaneyasu Co. Ltd., JAPAN
"Recovery of Highly Viscous Oil on the Sea in a Condition of a Core Annular Flow"

18:50 - 19:00 Concluding remarks by session chair

19:00 - 19:30 Social Hour (Foyer)

19:30 - 20:30 Dinner (Lauzon)

21:00 - 22:00 PANEL DISCUSSION (Duquesne)
"Gas-Liquid and Gas-Liquid-Solid Flows"

Tuesday, August 8, 2000

07:30 - 08:15 Breakfast (Lauzon)
Session 2: Gas-Solid Flows (Duquesne)
Session Co-Chairs: Christine Hrenya (Colorado) & Hans Kuipers (Twente)

08:20 - 08:30 Opening Remarks and announcements

08:30 - 09:20 Olivier Simonin
Institut de Mecanique des Fluides (INPT) and R&D Division (EDF), FRANCE
"Numerical Simulation of Dilute-Through-Dense Particulate Flows: Key Limitations of Current Approaches"

09:20 - 09:55 John McLaughlin
Clarkson University, USA
"Direct Numerical Simulation of Particle-Laden Flows with Collisions and Feedback"

09:55 - 10:25 Coffee Break (Foyer)

10:25 - 11:00 Toshitsugu Tanaka
Osaka University, JAPAN
"Discrete Particle Simulation of the Moderately Dense Regime: Application to Clustering Flows"

11:00 - 11:40 Ted Knowlton
PSRI, USA
"Experimental Techniques and Their Relation to Model Validation"

11:40 - 12:15 Dimitri Gidaspow, Reza Mostofi, Mehmet Tartan, Yong Seop Shin and
Diana Matonis
Illinois Institute of Technology, USA
"Computation and Measurement of Particle Turbulence in Risers"

12:15 - 12:30 Discussion

12:30 - 14:00 Lunch (Lauzon)

14:30 - 16:15 POSTER SESSION (Jonquiére)

14:15 - 16:15 Ad hoc sessions and/or free time

Session 2: Gas-Solid Flows (Continued) (Duquesne)
Session Co-Chairs: Christine Hrenya (Colorado) & Hans Kuipers (Twente)
Contributed papers [20 minutes per paper including Q&A]

16:30 - 16:50 Azita Azmadzadeh, Foyad Teymour and Hamid Arastoopour
Illinois Institute of Technology, USA
"Mathematical Modeling of Gas/Solid Rotating Fluidized Bed"

16:50 - 17:10 Peter N. Loezos & Sankaran Sundaresan and Madhav Syamlal*
Princeton University, USA
*Fluent Inc., USA
"Role of Meso-Scale Structures on Dilute Gas-Particle Flows"

17:10 - 17:30 Luis Portela, Perpaolo Cota and Rene Oliemans
Delft University of Technology, THE NETHERLANDS
"Eulerian-Lagrangian DNS/LES of Particle-Laden Flows"

17:30 - 17:50 Coffee Break (Foyer)

17:50 - 18:10 Chris Guenther, Madhav Syamlal* and Thomas O'Brien
National Energy Technology Laboratory, USA
*Fluent Inc., USA
"Simulation of the Fluidized Bed Pyrolysis of Silane"

18:10 - 18:30 Madhav Syamlal and Thomas O'Brien*
Fluent Inc., USA
*National Energy Technology, USA
"Simulation of a Catalytic Reaction in a Bubbling Fluidized Bed"

18:30 - 18:40 Concluding remarks by session chair

19:00 - 19:30 Social Hour (Foyer)

19:30 - 20:30 Dinner (Lauzon)

21:00 - 22:00 PANEL DISCUSSION (Duquesne)
"Hydrodynamic Modeling of Group A Materials"

Wednesday, August 9, 2000

07:00 - 08:00 Breakfast (Lauzon)

08:00 - 08:10 Opening remarks and announcements (Duquesne)

Session 3: Single Phase Reaction Flows (Duquesne)
Session Chair: Rodney Fox (Iowa State)

08:10 - 09:00 Jerzy Baldyga
Warsaw University of Technology, POLAND
"CFD in Single-Phase Chemical Process Modeling"

09:00 - 09:50 Jos Derksen
Delft University of Technology, THE NETHERLANDS
"Large-Eddy Simulations in Chemical Reaction Engineering"

09:50 - 10:20 Coffee Break (Foyer)

10:20 - 11:10 Lynn Melton
University of Texas at Dallas, USA
"Experimental Methods for CFD Evaluation"

11:10 - 11:30 Paul Gillis, Robert Larkins and Kuochen Tsai
The Dow Chemical Company, USA
"Validation of CFD Models for Scalar Transport Using Simultaneous PIV/PLIF Measurements"

11:30 - 11:50 Lene K. Hjertager, Jorgen Osenbroch, Bjorn H. Hjertager and Tron Solberg
Aalborg University, DENMARK
"Validation of the Eddy Dissipation Concept for Fast Chemical Reactions in Turbulent Flows"

11:50 - 12:00 Discussion

12:15 - 13:15 Lunch (Lauzon)

13:15 - 15:15 Ad hoc sessions and/or free time

Session 3: Single Phase Reaction Flows (Continued) (Duquesne)
Session Chair: Rodney Fox (Iowa State)
Contributed papers [20 minutes per paper including Q&A]

15:30 - 15:50 Harry Van den Akker
Delft University of Technology, NETHERLANDS
"Computational Modelling of Chemical Reactors at the Turn of the Millennium"

15:50 - 16:10 N. H. Kolhapure and R. O. Fox
Iowa State University, USA
"Full PDF Approach for Analysis of Turbulent Reacting Flows in the LDPE Process"

16:10 - 16:30 Jasper Kelder, K.J. Ptasinski and P.J.A.M. Kerkhof
Eindhoven University of Technology, THE NETHERLANDS
"Optimal Design of Continuous Sterilisers"

16:30 - 16:50 Coffee Break (Foyer)

16:50 - 17:10 E. D. Hollander, J.J. Derksen, H.M. Kramer and H.E.A. van den Akker
Delft University of Technology, THE NETHERLANDS
"Using CFD to Study the Influence of Fluid Flow on Agglomeration"

17:10 - 17:30 Zhiyi. Cao, Kangping Liang, Kevin Roberts, Graeme White and Derek Wilkinson
Heriot-Watt University, UNITED KINGDOM
"CFD Simulation of Batch Crystallizer with Heat Transfer"

17:30 - 18:00 Concluding remarks by the session chair

19:00 - 19:30 Social Hour (Foyer)

19:30 - 21:00 Banquet (Lauzon)

Thursday, August 10, 2000

07:00 - 08:00 Breakfast (Lauzon)

08:00 - 08:10 Opening Remarks and announcements (Duquesne)

Session 4: Industrial Reactor Problems (Duquesne)
Session Chair: John McKibben (P & G) & Rutton Patel (ExxonMobil)
[8 presentations 25 minutes each including Q&A]

08:10 - 08:35 Marco Bistolfi, Nicola Mancini and Fabrizio Podenzani
EniTechnologie, ITALY
"Computational Fluid Dynamics Modeling of Multiphase Reactors"

08:35 - 09:00 Wei Zhou, Jay Sanyal and Bin Yang
Fluent Inc., USA
"Application of CFD in Modeling Multiphase Reactors"

09:00 - 09:25 Lanre Oshinowo, Thomas P. Kisala* and Wei Zhou
Fluent Inc., USA
*Aspen Technologies, USA
"Improving Reactor Modeling in Sequential-Modular Process Simulation Using CFD"

09:25 - 09:50 J.D. Smith, M. Henneke, C. Schnepper and M. Lorra
John Zink Company, USA
"Application of Computational Fluid Dynamics to Industrial 'Opportunities' at the John Zink Company"

09:50 - 10:20 Coffee Break (Foyer)

10:20 - 10:45 Ray Cocco
Dow Chemical Co., USA
"Modelling Multiphase Unit Operations Using Validated CFD Codes"

10:45 - 11:10 Yun Xiong
Millenium Inorganic Chemicals, USA
"The Role of CFD Versus Other Modeling Tools in TiO2 Manufacture"

11:10 - 11:35 Richard D. LaRoche
DuPont Engineering Technology, USA
"CFD in the Chemical Process Industries: A Perspective on Current Practice and Future Needs"

11:35 - 12:00 E.H. Stitt, F.E. Hancock, R.H. Peeling and J. Scott
Synetix, UNITED KINGDOM
"Catalytic Reactor Development for Processing Chlorine Scrubbing Effluent"

12:00 - 12:20 Discussion

12:30 - 13:30 Lunch (Lauzon)

13:30 - 17:00 Ad hoc Sessions and/or free time

Session 4: Industrial Reactor Problems (Continued) (Duquesne)
Session Co-Chairs: John McKibben (P & G) & Rutton Patel (ExxonMobil)

17:30 - 18:30 CFD Vendor Presentations (20-30 minutes each) on:

  1. Reacting flow capabilities
  2. Multiphase capabilities
  3. Developmental directions

18:30 - 19:30 Social Hour (Foyer)

19:30 - 20:30 Dinner (Lauzon)

21:00 - 22:00 PANEL DISCUSSION (Duquesne)
David Davidson (Solutia, USA)
Eoin Casey (PFD, Ireland)
Norman Johnson (LANL, USA)
Tom Lange (Procter & Gamble, USA)
"Physics and Deployment Needs"

Friday, August 11, 2000

07:00 - 08:00 Breakfast (Lauzon)

08:00 - 08:10 Opening Remarks and Announcements (Duquesne)

Session 5: Challenges Ahead (Duquesne)
Session Chair: Tom O'Brien (NETL, USA)

08:15 - 09:15 SUMMARIES (15 minutes each) presented by Day Leaders -
State-of-the-art: Understanding of Physics
CFD Capability
Critical Needs: Gaps in understanding of physics
Numerical Methods
Experiments
Textbooks and monographs

09:15 - 09:45 DISCUSSION
"Critical Needs"

09:45 - 10:15 Coffee Break (Foyer)

10:15 - 11:00 DISCUSSION
GOAL: Come up with a list of critical needs and strategies to meet them

11:00 - 11:15 Open Discussion and Conference Wrap-up

11:15 - 11:30 Closing Remarks

12:00 - 13:00 Lunch (Lauzon)

13:15 Conference Adjourment

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POSTER LIST
(Tuesday, August 8, 2000)

Anuj Srivastava, M. Syamlal and S. Sundaresan
CFD of Friction-dominated gas-particle flows

Yong Li, Guoqiang, Jianping Zhang, and Liang-Shih Fan
Numerical Studies of Multi-Bubble Formation Dynamics in Gas-Liquid-Solid Fluidization Systems at High Pressures

Dongying Qian, Krishnan Sankaranarayan, Sankaran Sundaresan and John B. McLaughlin
Bubble Breakup in Homogeneous Turbulence

Elizabet Cruz, Dr. Frank Steward and Dr. Todd Pugsley
Modeling of Circulating, Fluidized Beds Using Computational Fluid Dynamics Software

Tim Clark (Presented by Gary Doolen)
Using a Lattice Boltzman Method to Simulate Rayleigh - Taylor Mixing Layers for Model Validation

Diana Matonis, Dimitri Gidaspow and Mitra Bahary
CFD Simulation of Flow and Turbulence in a Slurry Bubble Column

D. Gidaspow and Reza Mostofi
Computation of Turbulence in Liquid-Solid and Gas-Liquid-Solid Reactors

Savalaxs Supa-Amornkul, Dr. Frank Steward and Dr. Derek Lister
Flow Assisted Corrosion in Outlet Feeder Pipe

M. Davies, P.W. Farnell, R.J. Hughes & E.H. Stitt
Application of Computational Fluid Dynamics in the Design and Optimization of Secondary Reformers

David L. Davidson
A Showcase of CFD Applications at Solutia Inc.

Marco Bistolfi, Nicola Mancini and Fabrizio Podenzani
Computational Fluid Dynamics Modelling of Multiphase Reactors

Georgio Micale, Giuseppina Montante, Franco Magelli and Alberto Brucato
Fully Predictive Numerical Simulation of Solid-Liquid Systems in Unbaffled Stirred Vessels

J. Baldyga, M. Henczka, B. Yu. Shekunov, E. Astrakcharchik, Y. Sun and P. York
Mixing Effects in Antisolvent Precipitation in Turbulent Flow

J.D.H. Kelder, K.J. Ptasinski and P.J.A.M. Kerkhof
Optimal Design of Continuous Sterilisers

Jyoti Prasad Singh
Hydrodynamic Simulation of Multi-Component Flow

L.X. Zhou, C.Y. Lian, M. Yang, L.S. Fan, Y. Li and D.J. Lee
Simulation of Gas-Bubble and Liquid Turbulence in a Bubble Column Using a Second-Order Moment Model

Caixia Chen, Yong Li, Jianping Zhang and Liang-Shih Fan
Large Eddy Simulation of High Pressure/High Temperature Gas-Solid Fluidization Systems

Steven Dahl, Meheboob Alam, Rick Clelland and Christine Hrenya
Polydisperse Granular Shear Flows: A Comparison Between Discrete-Element Simulation and Theory

Luis M. Portela and Rene V.A. Oliemans
Eulerian-Lagrangian DNS/LES of Dispersed Multiphase Flows

Toshitsugu Tanaka, Mitsuhide Okubo, Toshihiro Kawaguchi and Yutaka Tsuji
Discrete Particle Analysis of Density Wave in Dense Gas-Solid Flows in a Vertical Pipe

Atsushi Miyoshi, Toshihiro Kawaguchi, Toshitsugu Tanaka and Yutaka Tsuji
Effect of Pulsating Gas Injection on Granular Flow in Gas-Solid Fluidized Beds

Venkatramanan Raman & Rodney O. Fox
Simulation of Methane Thermochlorination Reactor

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