Strategic process modeling facilitates accurate prediction of the properties
of the product polymer
Simulating step–growth polymerization processes using custom models or commercial software can facilitate the efficient design of polymers with highly desirable properties. Addressing everything from the fundamentals to recent achievements and future challenges, Step–Growth Polymerization Process Modeling and Product Design:
"Represents a major advance in filling the gap between the simplistic treatment in the usual textbooks and the industrial processes for making polymer products. Most importantly, the theme of the book is to show the inseparable relationship between the process and the product. This book will be a valuable asset to the industrial practitioner and to the academic chemical community."
Donald R. Paul, Editor, Industrial & Engineering Chemistry Research, American Chemical Society; recipient of ACS national award in applied polymer science
"Is highly recommended for process engineers who are developing new step–polymerization processes in the area of polyesters, polyamides, polycarbonates, polyimides, polysulfones, etc. It will likely contribute to an essentially one–stop shopping site for interested engineers and scientists who wish to broaden their perspective from chemistry and reaction mechanisms to the practical, but terribly important, process modeling considerations."
James E. McGrath, recipient of ACS national awards in polymer science and in applied polymer science
"Addresses the modeling complexities systematically. Complete production systems are described, which makes the achievement more remarkable and the text much more useful. By contrast, the open scientific literature is dedicated to very narrow improvements of prediction without a complete view of the entire polymerization train. This text illustrates how we may distill our knowledge of the polymerization fundamentals down to a working model that accurately represents industrial practice. As new polymers advance from laboratory bench–top to commercial success, these same lessons will be repeated. This text illustrates how that can be done successfully."
Thomas N. Williams Jr., Senior Technical Manager, Honeywell Specialty Materials
"Captures well the fundamental aspects of modeling step–growth polymerization processes and offers illustrative examples of how to approach modeling of real–life industrial polymerization systems. I want to take this opportunity to thank the authors for making this extraordinary effort to share their learning, and to congratulate them for their superb accomplishments and contributions to further advancing the practice of polymer process modeling and simulation."
Chau–Chyun Chen, Vice President of Technology, Aspen Technology, Inc.; patent inventor and developer of the polymer process simulation software, Aspen Polymers Plus®
Table of Contents
Foreword by Professor Donald R. Paul.Foreword by Professor James E. Mcgrath.
Foreword by Mr. Thomas N. Williams, Jr.
Foreword by Dr. Chau–Chyun Chen.
Preface.
Software Selection.
Acknowledgements.
About The Authors.
Chapter 1. Introduction.
Chapter 2. Fundamentals of Simulating Stirred Tanks And Plug–Flow Reactors.
Chapter 3 Physical Properties.
Chapter 4 Phase Equilibrium and Mass Transfer.
Chapter 5 Reaction Kinetics.
Chapter 6 Enthalpy Calculations.
Chapter 7 Stirred Tanks.
Chapter 8 Plug–Flow Reactors.
Chapter 9 Flowsheet Simulation.
Chapter 10 Nylon–6 VK–Tube Simulation in Polymers Plus.
Chapter 11 Nylon–6 Leacher and Solid–State Polymerization Simulation.
Chapter 12 Pet Melt Process Simulation in Polymers Plus.
Chapter 13 Nylon–6 Bubble–Gas Polymerization Process Simulation in Polymers Plus.
Chapter 14 Polycaprolactone and Polyurethane Polymerization Process Modeling In Polymers Plus.
Chapter 15 Polylactide and Nylon 6,6 Polymerization Process Modeling.
Chapter 16 Fine–Tuning Models.
Chapter 17 Multiscale Modeling Of A Nylon–6 Leacher.
Chapter 18 Recent Achievements and Future of Polymerization Process Modeling And Product Design.
Chapter 19 Appendix – Listing Of Computer Files.
Glossary.
