Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques.
Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development.
1. Chapter 1: Introduction - p. xiv 2. Chapter 2: Chemical Composition and Structure: Linear Algebra - p. 8 3. Chapter 3: Complex Reactions: Kinetics and Mechanisms – Ordinary Differential Equations – Graph Theory - p. 33 4. Chapter 4: Physicochemical Principles of Simplification of Complex Models - p. 82 5. Chapter 5: Physicochemical Devices and Reactors - p. 103 6. Abstract - p. 105 7. 5.1 Introduction - p. 105 8. 5.2 Basic Equations of Diffusion Systems - p. 106 9. 5.3 Temporal Analysis of Products Reactor: A Basic Reactor-Diffusion System - p. 110 10. 5.4 TAP Modeling on the Laplace and Time Domain: Theory - p. 115 11. 5.5 TAP Modeling on the Laplace and Time Domain: Examples - p. 121 12. 5.6 Multiresponse TAP Theory - p. 129 13. 5.7 The Y Procedure: Inverse Problem Solving in TAP Reactors - p. 132 14. 5.8 Two- and Three-Dimensional Modeling - p. 134 15. 5.9 TAP Variations - p. 141 16. 5.10 Piecewise Linear Characteristics - p. 146 17. 5.11 First- and Second-Order Nonideality Corrections in the Modeling of Thin-Zone TAP Reactors - p. 151 18. Chapter 6: Thermodynamics - p. 157 19. Abstract - p. 159 20. 6.1 Introduction - p. 159 21. 6.2 Chemical Equilibrium and Optimum - p. 166 22. 6.3 Is It Possible to Overshoot an Equilibrium? - p. 175 23. 6.4 Equilibrium Relationships for Nonequilibrium Chemical Dependences - p. 183 24. 6.5 Generalization. Symmetry Relations and Principle of Detailed Balance - p. 189 25. 6.6 Predicting Kinetic Dependences Based on Symmetry and Balance - p. 194 26. 6.7 Symmetry Relations for Nonlinear Reactions - p. 202 27. Appendix - p. 216 28. Chapter 7: Stability of Chemical Reaction Systems - p. 220 29. Abstract - p. 221 30. 7.1 Stability—General concept - p. 221 31. 7.2 Thermodynamic Lyapunov Functions - p. 231 32. 7.3 Multiplicity of Steady States in Nonisothermal Systems - p. 236 33. 7.4 Multiplicity of Steady States in Isothermal Heterogeneous Catalytic Systems - p. 242 34. 7.5 Chemical Oscillations in Isothermal Systems - p. 251 35. 7.6 General Procedure for Parametric Analysis - p. 257 36. Chapter 8: Optimization of Multizone Configurations - p. 265 37. Chapter 9: Experimental Data Analysis: Data Processing and Regression - p. 284 38. Chapter 10: Polymers: Design and Production - p. 306 39. Chapter 11: Advanced Theoretical Analysis in Chemical Engineering: Computer Algebra and Symbolic Calculations - p. 349 40. Index - p. 395
Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques.
Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development.
1. Chapter 1: Introduction - p. xiv 2. Chapter 2: Chemical Composition and Structure: Linear Algebra - p. 8 3. Chapter 3: Complex Reactions: Kinetics and Mechanisms – Ordinary Differential Equations – Graph Theory - p. 33 4. Chapter 4: Physicochemical Principles of Simplification of Complex Models - p. 82 5. Chapter 5: Physicochemical Devices and Reactors - p. 103 6. Abstract - p. 105 7. 5.1 Introduction - p. 105 8. 5.2 Basic Equations of Diffusion Systems - p. 106 9. 5.3 Temporal Analysis of Products Reactor: A Basic Reactor-Diffusion System - p. 110 10. 5.4 TAP Modeling on the Laplace and Time Domain: Theory - p. 115 11. 5.5 TAP Modeling on the Laplace and Time Domain: Examples - p. 121 12. 5.6 Multiresponse TAP Theory - p. 129 13. 5.7 The Y Procedure: Inverse Problem Solving in TAP Reactors - p. 132 14. 5.8 Two- and Three-Dimensional Modeling - p. 134 15. 5.9 TAP Variations - p. 141 16. 5.10 Piecewise Linear Characteristics - p. 146 17. 5.11 First- and Second-Order Nonideality Corrections in the Modeling of Thin-Zone TAP Reactors - p. 151 18. Chapter 6: Thermodynamics - p. 157 19. Abstract - p. 159 20. 6.1 Introduction - p. 159 21. 6.2 Chemical Equilibrium and Optimum - p. 166 22. 6.3 Is It Possible to Overshoot an Equilibrium? - p. 175 23. 6.4 Equilibrium Relationships for Nonequilibrium Chemical Dependences - p. 183 24. 6.5 Generalization. Symmetry Relations and Principle of Detailed Balance - p. 189 25. 6.6 Predicting Kinetic Dependences Based on Symmetry and Balance - p. 194 26. 6.7 Symmetry Relations for Nonlinear Reactions - p. 202 27. Appendix - p. 216 28. Chapter 7: Stability of Chemical Reaction Systems - p. 220 29. Abstract - p. 221 30. 7.1 Stability—General concept - p. 221 31. 7.2 Thermodynamic Lyapunov Functions - p. 231 32. 7.3 Multiplicity of Steady States in Nonisothermal Systems - p. 236 33. 7.4 Multiplicity of Steady States in Isothermal Heterogeneous Catalytic Systems - p. 242 34. 7.5 Chemical Oscillations in Isothermal Systems - p. 251 35. 7.6 General Procedure for Parametric Analysis - p. 257 36. Chapter 8: Optimization of Multizone Configurations - p. 265 37. Chapter 9: Experimental Data Analysis: Data Processing and Regression - p. 284 38. Chapter 10: Polymers: Design and Production - p. 306 39. Chapter 11: Advanced Theoretical Analysis in Chemical Engineering: Computer Algebra and Symbolic Calculations - p. 349 40. Index - p. 395
