0 CENTER FOR ADVANCED PROCESS DECISION-MAKING New Directions for Process Systems Engineering Lorenz T. Biegler Ignacio E. Grossmann Steinar Hauan Gary Powers B. Erik Ydstie Department of Chemical Engineering Carnegie Mellon University Pittsburgh, PA 15213 January, 20060 TABLE OF CONTENTS General News 1 Executive Summary 3 Status of Research Projects Larry Biegler's Group General Frameworks for Large Scale Optimization Strategies and Applications 7 Mathematical Programs with Equilibrium Constraints (MPECS) 7 Simultaneous Optimization of Differential-Algebraic (DAE) Systems 8 Large-Scale Optimization for Fuel Cell Models 10 Optimization and Control of Periodic Adsorption Processes 10 Ignacio Grossmann's Group Open Source Code for MINLP Optimization 11 Algorithms for Nonlinear Disjunctive Programming 12 Modeling of Hybrid Systems and Mixed-integer Programs 15 Optimal Synthesis of Integrated Process Water Systems 15 Disjunctive Optimization Techniques for the Synthesis and Design of Separation Synthesis 17 Synthesis of Crystallization Processes 19 Optimization Approaches for Metabolic Engineering 20 Multistage Stochastic Optimization for Design and Planning of Oilfield Infrastructures 21 Strategies for Reduction of Time-varying Uncertainty in the Planning of Process Networks 22 Simultaneous Planning and Scheduling of Continuous Multiproduct Plants 23 Cost Models for Contracts in Supply Chain Optimization Problems 24 Scheduling of Batch Multiproduct Plants 25 Optimal Scheduling of Refinery Operations 26 Simultaneous Scheduling and Control 27 Software for MINLP Optimization in Design and Scheduling 28 Steinar Hauan's Group Agent Systems in Engineering Design and Optimization 29 Microscale Chemical Synthesis and Sensing 30 Microscale Total Analysis Systems 31 A MEMS-based Gravimetric Biosensor 32 Design of Multiproduct Reactive Separation Plants 33 Erik Ydstie’s Group Modeling and Control of Particulate Processes 34 Modeling and Control of Distributed Process Networks 34 Real Time Optimization by Extremum Seeking Control 35 Passivity Based Control of Multi-Phase Reactor Systems 35 Thermodynamics and Process Networks 35 Modeling the Vapor Recovery Reactor in Carbothermic Aluminum Production using Multi-Scale Modeling Methods 36 Adaptive Control using Selective Memory 36 Publications 37 Reprints 381 GENERAL NEWS We are very pleased to welcome two new members to the CAPD: NOVA Chemicals and Petrobras. The contact with Nova Chemicals, whose R&D facilities are based in Calgary, Canada, will be Dr. Michel Berghmans. The contact with Petrobras, whose R&D Center is based in Rio de Janeiro, Brazil, will be Dr. Euclides Almeida Neto. We very much look forward to interacting with our new partners. We are happy to report that Total has renewed their membership in the CAPD, despite a reorganization that took place last year that involved divesting Atofina. The contact with Total will be Dr. Philippe A. Tanguy, Chaire TOTAL, Ecole Polytechnique, Montreal. Dr Pierre Pestiaux from the Research Center in Gonfreville will be attending the CAPD Annual Review Meeting. . CAPD e-News. We sent on October 26 our second e-newsletter. As we indicated in our previous newsletter, we will issue a total of four newsletters per year. Two will be the extensive report on projects with preprints in August and January, the two others will be brief e-Newsletters in April and October that will contain short announcements as well as information that we think will be useful to the CAPD members. We would appreciate receiving feedback regarding the e-Newsletter and to the new arrangement. Erik Ydstie has been invited to give the 2006 Roger W. Sargent lecture at Imperial College. He will also deliver a keynote speech on supply chain systems at the ADChEM meeting in Gremado in Brazil. Erik is also finishing up a new textbook on process control for undergraduate students. The book is co-authored by Profs Karl Johan Astrom, Bjoern Wittenmark and Sten Bay Jorgensen. iLS is in final stages of developing a multi-input single output adaptive predictive controller. It will be beta-tested in April at a power station in Colorado. Larry Biegler was a co-organizer (with Frank Allgoewer and Rolf Findeisen) of the International Workshop on Assessment and Future Directions of Nonlinear Model Predictive Control, held on August 26-30, 2005 in Freudenstadt, Germany. Ignacio Grossmann organized the Pan American Study Institute on Process Systems Engineering that took place in Iguazu, Argentina on August 16-25, 2005. There were 90 participants from USA, Canada, Mexico, Brazil, Argentina, Chile, Colombia, Venezuela, and Spain. See: http://cepac.cheme.cmu.edu/pasi.htm Ignacio also has become a member of the Strategic Advisory Board of the Institute of Chemical and Engineering Sciences in Singapore, which is located in Jurong Island. Congratulations to our Ph.D. students who received several awards at the CHEGSA Symposium that took place on October 24-25, 2005. Yoshiaki Kawajiri and Nick Sawaya received the Symposium Award, and Carl Laird and Anton Pfeiffer received honorable mentions. Yoshiaki and Carl are students of Larry Biegler, Nick is a student of Ignacio Grossmann, and Anton Pfeiffer is a student of Steinar Hauan. Congratulations to Muge Erdirik and Ramkumar Karuppiah students of Ignacio, and Israel Owusu, student of Steinar, who passed their proposal exam in December. Congratulations also to Brian Baumrucker, and Victor Zavala, students of Larry, who recently passed their Ph.D. qualifying exams. It is a pleasure to welcome the following new Ph.D. students to the PSE group: Anshul Agrawal and Parag Jain from IIT-Dehli, will be working with Larry Biegler. Mohit Aggarwal, also from IIT-Dehli, will be working with Erik Ydstie. Fengqi You from Tsinghua University will be working with Ignacio Grossmann. Also, the M.S. student Priyesh Takker from DJ Sanghvi College of Engineering will be working with Erik Ydstie. Professor Ostrovsky from the Karpov Institute of Physical Chemistry in Moscow visited Carnegie Mellon in November collaborating with Larry in the area of process flexibility with Professor Luke Achenie from the University of Connecticut. Sergio Frausto, Ph.D. student of