INTRODUCTION TO CREL
description
Transcript of INTRODUCTION TO CREL
INTRODUCTION TO CREL
M.P. Dudukovic
Chemical Reaction Engineering Laboratory (CREL)
http://crelonweb.wustl.edu
Washington University Facts• The University is ranked 11th in 2005 USN&WR for full-
time undergraduate education
• $480 million was received in total research support, including $414 million in federal obligations. *
• The National Science Foundation ranked Washington University 6th among major private universities and 13th among all universities. *
• The University ranks 5th among all educational institutions receiving research support from the National Institutes of Health (NIH), and the School of Medicine ranks 3rd among all medical schools. *
• 2,911 total instructional faculty *
• 10,462 total full-time students *
• 3,357 total degrees awarded * The School of Engineering represents 25% of the Bachelor’s degrees
* Fiscal 2003S1
INDUSTRIAL SPONSORS 2003/04
Sponsors Collaborators
AIR PRODUCTSBAYER
BPCHEVRON TEXACOCONOCO PHILLIPS
DOWDUPONT
EASTMANENI TECHNOLOGIE
EXXON – MOBILIFP
JOHNSON MATTHEYPRAXAIRSASOLSHELL
STATOILTOTAL
UOP
Welcome to the
29th Meeting of theChemical Reaction Engineering Laboratory (CREL) and Industry
October 28, 2004
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Raw Materials Products
Non Renewable:• Petroleum• Coal• Ores• Minerals
Renewable:• Plants• Animals
FuelsMaterialsPlasticsPharmaceuticalsFoodFeedetc.
Chemical andPhysical
Transformations
Pollution
The domain of chemical engineering consists of chemical and physical transformation of starting
materials to products
Key to economically and environmentally friendly process is in choosing the right chemical transformations and being able to scale them up.
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Use of Multiphase Reactor Technology
Dudukovic, Mills, Larachi, Catalysis Reviews, 44(1), 123-246 (2002)
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Petroleum Refining
PolymerManufacture
EnvironmentalRemediation
Syn & Natural GasConversion
BulkChemicals
Fine Chemicals& Pharmaceuticals
Value of Shipments:$US 637,877 Million
BiomassConversion
MeOH, DME, MTBE,Paraffins, Olefins,Higher alcohols, ….
Aldehydes, Alcohols,Amines, Acids, Esters,LAB’s, InorgAcids, ...
AgChem, Dyes,Fragrances, Flavors,Nutraceuticals,...
Syngas, Methanol, Ethanol, Oils, High
Value Added Products
De-NOx, De-SOx,HCFC’s, DPA,“Green”Processes ..
Polycarbonates,PPO, Polyolefins,Specialty plastics
HDS, HDN, HDM,Dewaxing, Fuels,Aromatics, Olefins, ...
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),()( bbb TCRCL
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bbjjRbh TCRHTLj
),()()(
transport;kineticsf00 P,C,T
P,C,T
product, Q
REACTOR PERFORMANCE = f ( input & operating variables ; rates ; mixing pattern )
REACTOR MOLECULAR SCALEEDDY/PARTICLEfeed, Q
CHEMICAL REACTION ENGINEERING (CRE) METHODOLOGY:
Multi-scale Quantification of Kinetic-Transport Interactions
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MOLECULAR SCALE (RATE FORMS)
Strictly Empirical Mechanism Based Elementary Steps
REACTOR SCALE
Axial Dispersion CFDPhenomenological Models
EDDY OR PARTICLE SCALE TRANSPORT
DNS / CFDEmpirical Micromixing Models
PROCESS SCALE
Steady State Balances Dynamic Models forControl & Optimization
10-10 m
102 m
10-16 (s)
104 (s)
PFR/CSTR
Reactor performance affects number and size of separation units and overall economics of the process
CREL Objectives• Education and training of students• Advancement of reaction engineering methodology• Transfer of state-of-the-art reaction engineering to
industrial practice
CREL Funding• General industrial CREL participation fees• Federal grants• Industrial mini-consortium• Federal contracts• Specific contract work• Specific training
CHEMICAL REACTION ENGINEERING LABORATORYS6
CREL Activities
• Exploration of novel process concepts and of new technology• Development of improved multiphase reactor models and validation
of CFD models for multiphase reactors for– Scale-up and design– Troubleshooting
• Development of toolboxes and turn-key models and training of personnel
CHEMICAL REACTION ENGINEERING LABORATORYS7
Sources of Novel Process Concepts1. Conceptual ideas (Main source: Dr. Walter Knox)
• Biomass to syngas• Syngas to vinyl acetate, methyl vinyl chloride, ethanol• Propylene oxide from propane, oxygen and hydrogen• Isobutane to p-xylene• Methane to methanol• Methane to ethanol• Biomass and/or coal to hydrogen• Methane to acetic acid• Etc.
2. John Gleaves’ novel catalyst development for selective oxidations (butane to maleic, propylene to acrolein, acrolein to acrylic), oxidative hydrogenation (propane to propylene), epoxidation (propylene to propylene epoxide), etc.
3. CEBC (Center for Environmentally Beneficial Catalysis – NSF ERC)• Solid acid alkylation and acetylation• Partial oxidation (cyclohexane to cyclohexanone and cyclohexanol or direct to Acetic
Acid)
CHEMICAL REACTION ENGINEERING LABORATORYS8
Novel Multiphase Reactor Technology
1. Microreactor Technology (Mikroglas - Invenios)• Safe manufacture of explosive materials• Determination of key process variables in oxidations
and other gas-liquid reactions
2. LOR (Liquid Oxidation Reactor Technology)• Use of increased oxygen concentration (or pure
oxygen) in teraphthalic acid manufacture• Extension of LOR to other oxidations
3. Biazzi Hydrogenation Technology
4. Ultra Short Contact Time Reactors and Reactor - Regenerators
CHEMICAL REACTION ENGINEERING LABORATORYS9
Validation of CFD for Multiphase Systems and ImprovedModel Development for Scale-Up, Design and Troubleshooting
• Bubble columns (slurry) • Liquid-solid risers• Moving beds• Ebulated beds
Advances in CARPT-CT technology
Computer Automated Radioactive Particle Tracking (CARPT) and Gamma Ray Computed Tomography (CT) yield the flow map of phase distribution and velocity in various systems
Computer Automated Radioactive Particle Tracking (CARPT)
High Pressure Bubble Column
• Gas-solid riser• Stirred tanks• Trickle beds• Monoliths with two phase flow• Etc
Process Applications
Computed Tomography (CT)
Normal Pressure Bubble ColumnS10
Scale-Up Models• Optical probes (bubble dynamics)• Mass transfer• Real transfer• Other
• Troubleshooting: Gamma ray
densitometry, tomography,
tracer methods
Point probes:
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3.56 m
Liquid/Catalyst Injection to Center (N1-Center)
Liquid/Catalyst Injection to Wall (N1-Sidewall)
9.66 m
Fresh Feed
0.46 m
Gas Tracer Injection
Recycle
Syngas In
Syngas/Products Out
DET
1.83m
2.74m
0.61m
1.74m
1.52m
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2.74m
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DET
DET
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DET
DET
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13.25m
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r/R = 0.6 r/R = 0.35
24 tubes of 1” O. D.
Liquid/Catalyst Injection to Center (N2-Center)
Liquid/Catalyst Injection to Wall (N2-Sidewall)
DET
DET
Bubble Column Example
For sound scale-up and design strategy one needs validated CFD codes. CARPT-CT are used to develop an appropriate reactor flow and mixing model. CFD generated data are used to assess model parameters. Reactor flow and mixing model is coupled with the kinetic information. Degaleesan et al., Chem. Eng. Sci., 51, 1967(1996); I&EC Research, 36,4670 (1997); Gupta et al., Chem. Eng. Sci., 56, 1117 (2001); Peng and Dudukovic, Chem. Eng. Sci. (submitted 2004).
Dzz
Drr
uz(r)
1-L(r)
0-R R
CT CT SCAN
CARPT
FLOWPATTERN
CFD + CARPT +
CT
AFDU
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Run 14.6
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Pressure = 50 atmTemperature =250 Deg. CUg = 25 cm/s
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Data
ModelPrediction
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Process Development, Turn-Key Models, Tool Boxes
• Corn – to – ethanol for NCRC at SIUE (USDA funded)
• Anaerobic digester design and operation (DOE funded)
• Airlift reactor for photo induced algal growth (CREL funded)
• Other proprietary contracts!
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Cells’ Movement
0 10 20 30 40 50 60 70 80 900100200300400500600700
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Time Series of Light intensity experienced by the Cells in the reactor
FlowVisualization
Airlift Airlift BioreactorBioreactorApplication:
PhotobioreactorAlgal Growth
Exposure light
Light distribution
H2OO2
H+,e-, ATP
Light
Excitonsbeing
dissipatedas heat and
fluorescence
Reaction Center
PigmentComplex
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Physiologically Based Photosynthesis rate model Dynamic Simulation
RIS
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EXP, Ug = 0.39 cm/s
Simulation of Wu
Ug=5 cm/s (this work)
Ug=1 cm/s (this work)
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(BC: Bubble Column; SC: Split airlift column; DC: Draft tube airlift column)
Luo and Al Dahhan(2003)
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CREL Deliverables to Sponsors• Annual report• Annual meeting• Copies of theses and reports prior to publication• Training of personnel on CREL premises• Joint proposals to federal funding agencies• Networking with high quality institutions• Access to unique experimental facilities• Contract research work and reports• Troubleshooting and consulting• Opportunity to leverage resources
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CHEMICAL REACTION ENGINEERING LABORATORY
Need Enhanced CREL – Industry Need Enhanced CREL – Industry Cooperative EffortsCooperative Efforts
Development of generic experimental and modeling tools for multiphase systems
Development of models and database for specific reactor types or for specific technology (mini-consortia, GOALI and other grants, sales and service contracts)
Development of new technology (research contracts with / without government involvement)
Closer ties on specific research projects (industrial co-advisors of student theses)
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To maximize value that CREL brings to sponsors and provide for continuity of research we need to:• Identify person(s) responsible for authorizing CREL participation fee in each company• Explore raising the fee to expand company participation in multi-institutional or multinational effort (e.g. CEBC, NCL, etc.)• Appoint an industrial executive advisory board to offer advice on use of CREL general funds and spearhead special
initiatives• Identify at each company people who can connect CREL to company planned government funded initiatives (via DOE-
ATP, OIT, etc.)• Give CREL and its partners a chance to participate in new process development for the company.
CHEMICAL REACTION ENGINEERING LABORATORYS17
CREL Advisory BoardSelected representatives or participating companies are current CREL advisors.
Company representatives advising D.Sc. Students are appointed in addition as adjunct faculty.
Need Executive Advisory Board•To define its role, functions, election of members•To focus on enhancing CREL value to industry•To enhance opportunities for CREL funding
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Initial Executive Advisory Board•Hugh Stitt (Johnson Matthey)•Bernie Toseland (Air Products)•Tiby Leib (DuPont)•Stan Proctor (Consultant / Ex-Monsanto)
Organizational meeting with all industrial representatives
Thursday, October 28, 2004
4:00 p.m.
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Radioactive Particle Tracking – A good way to get velocity information in opaque systems
Huping, specify conditions
Are both draft tube columnsL – r differnece?
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N. Devanathan - CARPT - Bubble ColumnsY. Yang - CARPT - Bubble ColumnsB.S. Zou - CARPT - Bubble ColumnsS. Kumar - CT-CARPT - Bubble ColumnsS. Limtrakul - CT-CARPT - Ebulated BedsB. Sannaes - CARPT - Slurry Bubble ColumnsS. Degaleesan - CARPT - Bubble ColumnsJ. Chen - CARPT-CT - Bubble Columns, Packed BedsS. Roy - CARPT-CT - Liquid-Solid RiserA. Kemoun - CARPT-CT - Riser, Stirred TankA. Rammohan - CARPT-CT - Stirred TankN. Rados - CARPT-CT - Slurry Bubble ColumnsB.C. Ong - CARPT-CT - Bubble Columns
Acknowledgement of Significant Past CREL ContributionsAcknowledgement of Significant Past CREL Contributions
K. Myers - Bubble ColumnsR. Holub - Trickle BedsB.S. Zhou - Tap Reactor ModelS. Pirooz - Plasma ReactorsV. Kalthod - BioreactorsH. Erk - Phase Change RegeneratorsA. Basic - Rotating Packed BedM. Al-Dahhan - Trickle BedsJ. Turner - Fly Ash and Pollution AbatementS. Karur - Computational CREM. Kulkarni - Reverse Flow in REGAS
CARPT-CT
CFD, Reactor Models & ExperimentsQ. Wang - Bubble ColumnsZ. Xu - Photocatalytic DistillationK. Balakrishnan - Computational CREM. Khadilkar - CFD, Models, Trickle BedsY. Jiang - CFD, Models, Trickle BedsJ-H. Lee - Models, Catalytic
DistillationY. Wu - Models (Trickle Beds,
Bubble Column)Y. Pan - CFD (Bubble Columns)P. Gupta - Models (Bubble Columns)P. Chen - Bubble Columns
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ACKNOWLEDGMENTS
Department of Energy: DE-FC22 95 95051DE-FG22 95 P 95512
CREL Industrial Sponsors: ABB Lummus, Air Products, Bayer, Chevron, Conoco, Dow Chemicals, DuPont, Elf Atofina, Exxon, EniTechnologie, IFP, Intevep, MEMC, Mitsubishi, Mobil, Monsanto, Sasol, Shell, Solutia, Statoil, Synetix, Union Carbide, UOP
CREL Colleagues and M.H. Al-Dahhan, J. Chen, S. Degaleesan, Graduate Students: N. Devanathan, P. Gupta, A. Kemoun, B.C. Ong, Y.
Pan, N. Rados, S. Roy, A. Rammohan, Y. Jiang, M. Khadilkar
Special Thanks to: B.A. Toseland, Air Products and ChemicalsM. Chang, ExxonMobilJ. Sanyal, FLUENT, USAB. Kashiwa, CFDLib, Los AlamosV. Ranade, NCL, Pune, India
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2003 CREL ANNUAL MEETING
AGENDA Thursday, October 28, 2004
Place: Washington University – Hilltop Campus (Knight Executive Center – Room 220) 8:30 – 9:00 a.m. Welcome and Introduction - M.P. Dudukovic
9:00 – 9:40 a.m. The Importance of Fundamentals in the Future Directions for the Chemical Industries - Kurt Vanden Bussche (UOP)
9:40 – 10:20 a.m. Utilizing Fundamentals in Design, Scale-up and Troubleshooting - Hugh Stitt (Johnson-Matthey)
10:20 – 10:40 a.m. Coffee Break
10:40 – 11:20 a.m. Reactor, Process and Product Engineering via Flow Modeling - Vivek Ranade (NCL)
*11:20 – 12:40 p.m. Introduction of Posters and New Technologies
12:40 – 2:00 p.m. Lunch
**2:00 – 4:30 p.m. Viewing of Posters, Discussion of New Technologies and Laboratory Visits
4:30 – 5:30 p.m. Future Directions and Needs (Industrial Participants Only)
5:30 – 6:00 p.m. Meeting of Industrial Advisory Board with CREL
6:00 – 6:45 p.m. Reception
6:45 – 8:15 p.m. Dinner
8:15 – 9:15 p.m. The Story of Chemical Reaction Engineering - O. Levenspiel (Oregon State University)
9:15 – 10:00 p.m. Ad hoc Discussions
* New Technologies
Mikroglas Microreactor system (www.invenios.com)
Biazzi Hydrogenation Reactor – Direct scale up from lab to production size (www.biazzi.com)
**CREL Facility Tours
1. 1:45 – 2:30 p.m. S23