focapd 2004 foundations of computer aided process design foundations of computer-aided process...
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FOCAPD 2004Foundations of Computer Aided Process Design
Foundations of Computer-AidedProcess Design, FOCAPD 2004
July 11-16, 2004Princeton University
Friend Center for Engineering EducationPrinceton, New Jersey, USA
Co-Chairs Christodoulos A. Floudas Rakesh Agrawal Princeton University Air Products and Chemicals
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
FOCAPD 2004 - Princeton University, Princeton, New Jersey
C.A. Floudas and R. Agrawal
FOCAPD 1999 - Breckenridge, Colorado
M.F. Malone and J.A. Trainham
FOCAPD 1994 - Snowmass, Colorado
L.T. Biegler and M.F. Doherty
FOCAPD 1989 - Snowmass, Colorado
J.J. Siirola, I.E. Grossmann and G. Stephanopoulos
FOCAPD 1983 - Snowmass, Colorado
A.W. Westerberg and H.H. Chien
FOCAPD 1980 - New England College, Henniker, New Hampshire
W.D. Seider and Richard S.H. Mah
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Theme:Discovery Through
Product and Process Design
July 11-16, 2004Princeton University
Friend Center for Engineering EducationPrinceton, New Jersey, USA
FOCAPD 2004Foundations of Computer Aided Process Design
Objectives• In-depth review & assessment
of state of the art• Current and future needs in
research, education & training• New directions & challenges in
Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
KEYNOTE ADDRESS: “The Coming Change in the Chemical Industry”CHAIR: Christodoulos A. FloudasSPEAKER: Patrick Gruber
SESSION TITLE: Integrated Product and Process Design CO-CHAIRS: Ka Ng and Josef Kallrath
SESSION TITLE: Education, Training and Industrial Needs in Product and Process DesignCO-CHAIRS: Michael Doherty and Gintaras Reklaitis
SESSION TITLE: Enabling Technologies in Product and Process Design: Modeling and SimulationCO-CHAIRS: Wolfgang Marquardt and Steven Jaffe
SESSION TITLE: Contributed PapersCO-CHAIRS: Costas Maranas, Rafiqul Gani, Shinji Hasebe, Jose Pinto
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
SESSION TITLE: Enabling Technologies in Product and Process Design: Optimization Methods and Applications CO-CHAIRS: Efstratios Pistikopoulos and Basil Joffe
SESSION TITLE: Product and Process Design for Energy and the EnvironmentCO-CHAIRS: Michael Malone and Claire Adjiman
SESSION TITLE: Enabling Technologies in Product and Process Design: Operations CO-CHAIRS: Marianthi Ierapetritou and B. Ogunnaike
SESSION TITLE: Challenges and Opportunities in Systems BiologyCO-CHAIRS: Andrew Hrymak and Mauricio Futran
CONFERENCE SUMMARY: “Progress since FOCAPD99 and Challenges for 2009”CHAIR: Rakesh Agrawal
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
(1) Keynote Address(21) Plenary Presentations(82) Contributed Papers/Poster Presentations A. Process Design and Synthesis
B. Product Design and DiscoveryC. Process OperationsD. Modeling, Optimization & Uncertainty
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Keynote & Plenary Speakers
AndrewMcBrien
FabioSchoen
EugeneSchaefer
MauricioFutran
FOCAPD 2004Foundations of Computer Aided Process Design
Session Chairs
StevenJaffe
MauricioFutran
FOCAPD 2004Foundations of Computer Aided Process Design
Contributed Papers/Posters Session A. Process Design and Synthesis
Rafiqul Gani
B. Product Design and DiscoveryJose Pinto
C. Process OperationsShinji Hasebe
D. Modeling, Optimization & UncertaintyCostas Maranas
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Europe
Asia
Central/South America
North America
• 150 conference attendees from 24 countries• 113 academic, 36 industrial, 1 government• 40 students and postdoctoral associates
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
USA United Kingdom
Canada Netherlands
Puerto Rico Germany
Mexico Italy
Chile Portugal
Brazil Denmark
Argentina Slovenia
Turkey Finland
Israel Norway
Hong Kong Spain
Japan Switzerland
Taiwan South Korea
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Discovery Through Product and Process Design
• Air Products and Chemicals• AspenTech• ATOFINA Chemicals• BASF AG• BP Chemicals• Bristol-Myers-Squibb• Cargill Dow• ClearwaterBay Technology• DuPont• Eastman Chemical
• ExxonMobil• Emerson Process
Management• IBM• Invista• Process Systems Enterprise• Procter and Gamble• Rohm and Haas• Solutia• Symyx Technologies
FOCAPD 2004Foundations of Computer Aided Process Design
Advisory and Organizing CommitteeL.T. Biegler Carnegie Mellon UniversityH. Britt AspenTechM.F. Doherty University of California, Santa BarbaraR. Gani DTU, DenmarkI.E. Grossmann Carnegie Mellon UniversityS. Jaffe ExxonMobilS. Kim Purdue University and NSFM.F. Malone University of MassachusettsC.D. Maranas Pennsylvania State UniversityW. Marquardt RWTH, Aachen, GermanyM. Morari ETH, SwitzerlandKa Ng Hong Kong University B. Ogunnaike University of DelawareC. Pantelides Imperial College, UK and PSEE.N. Pistikopoulos Imperial College, UKG.V. Reklaitis Purdue UniversityW.D. Seider University of PennsylvaniaJ.J. Siirola Eastman Chemical Co.G. Stephanopoulos MITG. Towler UOPA.W. Westerberg Carnegie Mellon University
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
SponsorsCACHEAIChECAST Division AIChEPrinceton UniversityNational Science Foundation
Air Products and ChemicalsAspenTechBASFBristol-Myers-SquibbEastman ChemicalExxonMobilInvistaMitsubishi ChemicalsOptienceProcess Systems Enterprise
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Best Contributed Paper Awards:
• AspenTechA. Yang, J. Morbach, W. Marquardt
• BASFN. Kakalis, A. Kakhu, C. Pantelides
• ExxonMobilA. Pfeiffer, J.D. Siirola, S. Haun
• Process Systems EnterpriseK. Furman, I.P. Androulakis
Discovery Through Product and Process Design
FOCAPD 2004Foundations of Computer Aided Process Design
Progress since FOCAPD99 and Challenges for 2009
John Perkins, Mike Malone,
and Jeff Siirola
FOCAPD 2004Foundations of Computer Aided Process Design
Future Trends and Challenges
• Much slower growth in the developed world• Accelerating growth in the developing world• Increasing emphasis on environmental impact
minimization, energy minimization, alternative raw materials, sustainability
• 5 X existing production capacity within 50 years for most commodities
FOCAPD 2004Foundations of Computer Aided Process Design
Emerging Processes
• Clean water• Biomass and coal gasification• Carbon sequestration• Photovoltaics, fuel cells, energy storage• Bioprocesses
FOCAPD 2004Foundations of Computer Aided Process Design
Product and Process Interaction
• Simple small molecules• Functional molecules: dyes, drugs, solvents,
refrigerants, fire suppressants, fuel additives• Mixtures and simple formulations• Process counts: polymers, block copolymers, chiral
molecules, crystal polymorphs, structured products• Product performs a process function• Evaluation of consumer product candidates
FOCAPD 2004Foundations of Computer Aided Process Design
Chemical Product Engineering
• Stage-Gate® innovation process: Identify need, Generate alternatives, …
• What tools might be brought to rational product design?
• Basic chemicals– Structure-property relationships– Discovery Informatics– Group contribution optimization
• Formulated products• Structured products
FOCAPD 2004Foundations of Computer Aided Process Design
Product Design
Specs ? MarketInputs
? Specs MarketInputs
Synthesis
Analysis
FOCAPD 2004Foundations of Computer Aided Process Design
Product Engineering Challenge
• Can systematic methods for chemical product design be developed somewhat analogous to those developed for chemical process design?– Evolutionary modification
– Systematic generation
– Superstructure optimization
FOCAPD 2004Foundations of Computer Aided Process Design
Systematic Product SynthesisA Collaborative Effort
• With other disciplines including physical chemistry, materials science, physics, biology, computer science, etc.
• Among industry, academia, and government• With customers, and customer’s customers
FOCAPD 2004Foundations of Computer Aided Process Design
Questions
• Is there a systematic approach to chemical product
synthesis?
• What PSE tools can be used as enablers of product design?
• What will chemical engineers do better than scientists?
• What do chemical engineers need to understand about
business, markets, finance, …?
• What must we change in the curriculum? How – what can
be removed?
FOCAPD 2004Foundations of Computer Aided Process Design
FOCAPD 2004 Opportunities: Methods
• Modelling • Optimization• Intelligent Experimentation• Product Design Education• …
FOCAPD 2004Foundations of Computer Aided Process Design
FOCAPD 2004 Opportunities: Challenge Problems
• Energy• Water• Life Sciences• Supply Chain• …
FOCAPD 2004Foundations of Computer Aided Process Design
FOCAPD 2004: Conclusions
• Major new challenge in Product Design• ‘Opportunity’ Overload?
– Methods and Tools– Challenge Problems– Applications, applications, applications!