# 529-0613-00L Process Simulation and Flowsheeting

Semester | Autumn Semester 2016 |

Lecturers | E. Capón García, K. Hungerbühler |

Periodicity | yearly recurring course |

Language of instruction | English |

Abstract | This course encompasses the theoretical principles of chemical process simulation, as well as its practical application in process analysis and optimization. The techniques for simulating stationary and dynamic processes are presented, and illustrated with case studies. Commercial software packages are presented as a key engineering tool for solving process flowsheeting and simulation problems. |

Objective | This course aims to develop the competency of chemical engineers in process flowsheeting and simulation. Specifically, students will develop the following skills: - Deep understanding of chemical engineering fundamentals: the acquisition of new concepts and the application of previous knowledge in the area of chemical process systems and their mechanisms are crucial to intelligently simulate and evaluate processes. - Modeling of general chemical processes and systems: students have to be able to identify the boundaries of the system to be studied and develop the set of relevant mathematical relations, which describe the process behavior. - Mathematical reasoning and computational skills: the familiarization with mathematical algorithms and computational tools is essential to be capable of achieving rapid and reliable solutions to simulation and optimization problems. Hence, students will learn the mathematical principles necessary for process simulation and optimization, as well as the structure and application of process simulation software. Thus, they will be able develop criteria to correctly use commercial software packages and critically evaluate their results. |

Content | Overview of process simulation and flowsheeting - Definition and fundamentals - Classification: stationary (steady-state) versus dynamic (transient state) systems - Fields of application - Case studies Process modeling - Modeling strategies of process systems - Mass conservation - Species balance - Energy conservation - Momentum balance - Multiphase-systems: equilibrium & non-equilibrium models - Process system model Process simulation - Process specification - Introduction to process specification - Classification of mathematical models: AMS, DOE, DAE, PDE - Model validation - Software tools - Solution methods for process flowsheeting - Simultaneous methods - Sequential methods - Dynamic simulation - Numerical solution: explicit and implicit methods - Continuous-discrete simulation: handling of discontinuities Process optimization and analysis - Classification of optimization problems - Linear programming - Non-linear programming - Dynamic programming - Optimization methods in process flowsheeting - Sequential methods - Simultaneous methods Commercial software for simulation: Aspen Plus - Thermodynamic property methods - Reaction and reactors - Separation / columns - Convergence & debugging |

Literature | An exemplary literature list is provided below: - Biegler, L.T., Grossmann I.E., Westerberg A.W., 1997, systematic methods of chemical process design. Prentice Hall, Upper Saddle River, US. - Boyadjiev, C., 2010, Theoretical chemical engineering: modeling and simulation. Springer Verlag, Berlin, Germany. - Ingham, J., Dunn, I.J., Heinzle, E., Prenosil, J.E., Snape, J.B., 2007, Chemical engineering dynamics: an introduction to modelling and computer simulation. John Wiley & Sons, United States. - Reklaitis, G.V., 1983, Introduction to material and energy balances. John Wiley & Sons, United States. |

Prerequisites / Notice | A basic understanding of material and energy balances, thermodynamic property methods and typical unit operations (e.g., reactors, flash separations, distillation/absorption columns etc.) is required. |