Process Systems Engineering, 4. Process and Product Synthesis, Design, and Analysis
Authors: Gani Rafiqul , Eden Mario R. , Gundersen Truls , Georgiadis Michael C. , Woodley John. M. , López‐Arenas Teresa , Sales‐Cruz Mauricio , Perez‐Cisneros Eduardo S. , Solvason Charles C. , Chemmangattuvalappil Nishanth G. , Eden Mario R. , Lutze Philip , Roughton Brock C. , Camarda Kyle V. , Topp Elizabeth M. 
Published: January 2013

AbstractThe article contains sections titled:1.Introduction2.Process Synthesis and Design2.1.Objective of Process Synthesis and Design2.2.Generic Problem Definition2.3.Process Synthesis–Design Methods2.4.Challenges and Opportunities3.Process Integration–Energy3.1.Process Integration–Introduction to Key Concepts and Major Topics3.1.1.Design of Heat Exchanger Networks (HENs)3.1.2.Correct Heat Integration3.1.3.Use of Optimization in Process Integration3.1.4.Use of Exergy in Process Integration3.1.5.Heat Recovery in Batch Processes3.1.6.Expansions of the Pinch Concept3.1.7.Concluding Remarks and Future Directions3.2.Introduction to the Synthesis of Heat Exchanger Networks3.2.1.Problem Statement3.2.2.Minimum Utility Cost3.2.2.1.Partition of Temperature Scale3.2.2.2.Linear Programming Transshipment Model3.2.2.3.Illustration3.2.3.Minimum Number of Matches3.2.4.Derivation of Optimal HEN Structure3.2.4.1.Problem Statement3.2.4.2.HEN superstructure3.2.4.3.Mathematical Formulation of the HEN Superstructure3.2.5.Simultaneous HEN Synthesis Approach4.Process Intensification4.1.Introduction4.2.Definition of PI4.3.Process Systems Engineering (PSE) and Process Intensification (PI)4.3.1.Synthesis and Design4.3.2.Modeling and Simulation4.4.Analysis and Verification4.5.Perspective5.Reactive Distillation Processes5.1.Graphical Design Methods5.1.1.Element Balances and Equilibrium Condition5.1.2.Design of Reactive Distillation Columns5.1.2.1.Binary‐Element Reactive Systems5.1.2.2.The Reactive Equilibrium Curve5.1.2.3.Constant Total Element Mass Overflow Assumption (CTEMO)5.1.2.4.The Reactive McCabe–Thiele Diagram5.1.2.5.Accounting Heat Effects: The Reactive Ponchon–Savarit Diagram5.1.3.Application Examples5.1.4.Conclusions5.2.New Applications5.2.1.Clean Fuels, Challenges and Opportunities5.2.2.Methodology5.2.3.Case Study: Production of Ultra‐Clean Diesel5.2.3.1.The Reaction System (Stage 1)5.2.3.2.Model Formulation: Batch Reactive Distillation Process (Stage 2)5.2.3.3.Conceptual design of a reactive distillation column (Stage 3)5.2.3.4.Rigorous Simulation of Reactive Distillation Process (Stage 3)5.2.4.Conclusions6.Chemical Product Synthesis/Design6.1.Introduction6.2.Design, Synthesis, and Formulation6.2.1.Mathematical Formulation of the Chemical Product Design Problem6.2.2.Database Searches6.2.3.Enumeration & Generation6.2.4.Optimization6.3.Tools for Product Design6.3.1.Computer‐Aided Mixture/Blend Design (CAMbD)6.3.2.Computer‐Aided Molecular Design (CAMD)6.3.3.Design of Structured Chemical Products6.4.Example: Design of an Insect Repellent6.5.Conclusions and Future Directions7.Approaches to Pharmaceutical Product Design7.1.Introduction7.2.General Concepts in Pharmaceutical Product Design7.3.Design and Development of Active Pharmaceutical Ingredient7.3.1.Overview7.3.2.Ligand Screening7.3.3.Structure‐Based Drug Design7.4.Pharmaceutical Formulation Design7.4.1.Overview7.4.2.Formulation Properties and Selection7.4.3.Computer‐Aided Molecular Design of Excipients7.5.Example: Formulation Design to Minimize Aggregation of Protein Drugs7.5.1.Overview7.5.2.Prediction of Protein Aggregation7.5.3.Design of Excipients for the Minimization of Aggregation7.6.Conclusions and Future Directions8.Acknowledgments