# 529-0613-01L Process Simulation and Flowsheeting

Semester | Autumn Semester 2023 |

Lecturers | G. Guillén Gosálbez |

Periodicity | yearly recurring course |

Language of instruction | English |

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

Learning objective | This course aims to develop the competency of chemical engineers in process flowsheeting, process simulation and process optimization. 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 should 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 to develop criteria to correctly use commercial software packages and critically evaluate their results. - Process optimization: the students will learn how to formulate optimization problems in mathematical terms, the main type of optimization problems that exist (i.e., LP, NLP, MILP and MINLP) and the fundamentals of the optimization algorithms implemented in commercial solvers. |

Content | Overview of process simulation and flowsheeting: - Definition and fundamentals - Fields of application - Case studies Process simulation: - Modeling strategies of process systems - Mass and energy balances and degrees of freedom of process units and process systems Process flowsheeting: - Flowsheet partitioning and tearing - Solution methods for process flowsheeting - Simultaneous methods - Sequential methods Process optimization and analysis: - Classification of optimization problems - Linear programming, LP - Non-linear programming, NLP - Mixed-integer linear programming, MILP - Mixed-integer nonlinear programming, MINLP Commercial software for simulation (Aspen Plus): - Thermodynamic property methods - Reaction and reactors - Separation / columns - Convergence, optimisation & debugging |

Literature | An exemplary literature list is provided below: - Biegler, L.T., Grossmann, I.E., Westerberg, A.W. Systematic methods of chemical process design, Prentice Hall International PTR (1997). - Douglas, J.M. Conceptual design of chemical processes, McGraw-Hill (1988). - Edgar, T. F., Himmelblau, D. M. Optimization of chemical process, Mcgraw Hill Chemical Engineering Series (2001). - Haydary, J. Chemical Process Design and Simulation, Wiley (2019). - Seider, W.D., Seader, J.D., Lwin, D.R., Widagdo, S. Product and process design principles: synthesis, analysis, and evaluation, John Wiley & Sons, Inc. (2010). - Sinnot, R.K., Towler, G. Chemical Engineering Design, Butterworth-Heinemann (2009). - Smith, R. Chemical process design and integration, Wiley (2005). - Turton, R., A. Shaeiwitz, Bhattacharyya, D., Whiting, W. Synthesis and Design of Chemical Processes, Prentice Hall (2013). |

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. |