Y. L. Huang Laboratory for Computer-Aided Process Systems Science and Engineering Department of Chemical Engineering and Materials Science Wayne State University Detroit, MI September 3 – 5, 2002 FRONTIER OF CHEMICAL PROCESS ENGINEERING: THEORERICAL DEVELOPMENT AND APPLICATION POTENTIALS

September 3 – 5, 2002ChE 4200 – Fall, 2002 Challenges Economical: cost, product quality Environmental: P2 — clean manufacturing Technological: new product and process development Global Competition Europe: merger and acquisition of chemical companies U.S.: Investment from abroad > U.S. investment abroad Industrial Response Re-evaluation of business performance Revolution of manufacturing/processing technologies Identification of market opportunities U.S. Chemical Process Industry Today

September 3 – 5, 2002ChE 4200 – Fall, 2002 Leads the world in technology development, manufacturing, and profitability Is responsible for breakthroughs in R&D Leads the world in creating innovative process and product technologies Sets the world standard for excellence of manufacturing operations … -- by ACS, AIChE, CMA, CCR, SOCMA, 1996 Technology Vision 2020: The U.S. Chemical Industry

September 3 – 5, 2002ChE 4200 – Fall, 2002 Improve operations Improve efficiency in the use of raw materials, the reuse of recycled materials, and the generation and use of energy Continue to play a leadership role in balancing environmental and economic considerations Aggressively commit to longer term investment in R&D Balance investment in technology by leveraging the capabilities of government, academe, and the chemical industry as a whole through targeted collaborative efforts in R&D Five Goals of the U.S. Chemical Industry ( )

September 3 – 5, 2002ChE 4200 – Fall, 2002 New Chemical Science & Engineering Technology Supply Chain Management Information System Manufacturing & Operation Chemical Science Enabling Technologies Process Science and Process Engineering Chemical Measurement Computational Technologies Vision 2020

September 3 – 5, 2002ChE 4200 – Fall, 2002 Process software tools Real-time measurement tools Non- traditional reaction and separation systems Process Science and Process Engineering New concepts in flexible manufacturing Process technology for high performance materials and structures Solids processing Smart processes Enabling Technologies — 1

September 3 – 5, 2002ChE 4200 – Fall, 2002 Chemical analysis at the molecular level Instrumentation interfacing standard, high- performance spectrometers Robust measurement techniques Chemical measurement Enabling Technologies — 2

September 3 – 5, 2002ChE 4200 – Fall, 2002 Computational molecular science Operations simulation and optimization Computational fluid dynamics Computational technologies Process simulation and modeling Large scale integration/ smart systems Enabling Technologies — 3

September 3 – 5, 2002ChE 4200 – Fall, 2002 Nano tech Chemical Engineering Spectrum Biochem Catalysis Design Control Info tech Molecular Polymer Traditional PSE

September 3 – 5, 2002ChE 4200 – Fall, 2002 New production paradigms of reactions and separations Advanced process integration and integration of process design Large-scale hierarchical decision making and dynamic optimization Profitable process pollution prevention and product life cycle Computing and information technologies Integrated microchemical system theory (?) Biosystem engineering Large scale system theory (e.g., industrial ecology) Chemical Process Systems Engineering -- Challenge and Opportunity

September 3 – 5, 2002ChE 4200 – Fall, 2002 RN DCN - Primary Separation MEN - Secondary Separation MN - Tertiary Separation HEN - Energy Recovery Reactive Distillation Reactive MEN Reactive membrane system Heat integrated reaction- separation system... System Hierarchy Hybrid System

September 3 – 5, 2002ChE 4200 – Fall, 2002 KNOWLEDGE Linguistic Conceptual Epistemological Logical Physical Numerical Precise Imprecise Unstructured Precise Structured Computing Paradigm Shifting DATA Market Corporate Unit/plant Stream Physical/chemical Symbolic

September 3 – 5, 2002ChE 4200 – Fall, 2002 What? Heat integration – HEN, heat integrated reactor and/or separator systems Mass integration – MEN Why? For improving energy/mass efficiency, and minimizing adverse environmental impact Where? Any continuous and batch process systems Any process and manufacturing industries How? Identification of energy and mass sources and sinks Application of system science, engineering fundamentals and heuristics to design an integrated plant Process Integration

September 3 – 5, 2002ChE 4200 – Fall, 2002 Operational Problem (Lack of controllability) Major Deficiency of Current Process Integration Unachievable environmental and economic goals Phenomena Results

September 3 – 5, 2002ChE 4200 – Fall, 2002 Improper Heat Integration -- Environmental Problem Key ( ) : T (  C) ; [ ] : Mc P (kW/  C)

September 3 – 5, 2002ChE 4200 – Fall, 2002 Improper Mass Integration – New Environ. Prob.

September 3 – 5, 2002ChE 4200 – Fall, 2002 Improved Process Integration – Structural Disturbance Rejection

September 3 – 5, 2002ChE 4200 – Fall, 2002 Traditional Approach Design & control: sequential activities Advantage: simple, separate consideration of cost for design and operability for control Disadvantage: designed integrated process may not be operable, and multiple objectives may not be reachable New Approach Design & control: integrated — control in design Advantage: capable of addressing multiple design and control objectives in one step prevention of operational problems in design Disadvantage: more computational effort Integrated Process Design and Control — A New Process Engineering Paradigm

September 3 – 5, 2002ChE 4200 – Fall, 2002 Process synthesis Process analysis Process optimization Detailed process design Control synthesis Control analysis Control optimization Detailed control design Tradition: Sequential Trend: Simultaneous CONTROL DESIGN Integrated Process Design and Control

September 3 – 5, 2002ChE 4200 – Fall, 2002 On-going Projects in Integrated Process Design and Control (Funded by NSF and ACS-PRF) Main Features — towards science More rigorous modeling Introduction of dynamics or pseudo dynamics Rigorous optimization, steady-state and dynamic ArtScience Industry’s practiceAcademic focus Researchers Douglas (UMass) Huang (WSU) Floudas (Princeton) McAvoy (U MD ) Achiene (U Conn) Pistocopolous (Imperial College) Christofides (UCLA)

September 3 – 5, 2002ChE 4200 – Fall, 2002 Realistic Expectation on Integrated Process Design and Control Expected Milestones in IPDC Software Development Unit-based design with dynamic analysis Automatic generation of process flowsheets (??) Multi- objective design Flowsheet simulation with key dynamics evaluation Operability enhancement in an integrated plant Control scheme synthesis