Numerical Simulation for Chemical Engineers: Solving DAEs and IVPs

Simulating complex chemical systems requires more than just basic algebra; it demands a solid grasp of how to translate physical reactor behaviors into solvable mathematical models. This text-based course guides you through the process of setting up and solving differential algebraic equations (DAEs) and initial value problems (IVPs) for chemical engineering systems. You will transition from understanding theoretical chemical kinetics to writing robust, structured simulation code to analyze Packed Bed Reactors and other key chemical processes. What you'll learn: - Understand the foundational concepts of Differential Algebraic Equations (DAEs) and Initial Value Problems (IVPs) in chemical kinetics. - Formulate mathematical models for Packed Bed Reactors (PBRs) using mass and energy balances. - Apply numerical solvers to handle stiff systems and manage error tolerances effectively. - Write clean, structured simulation scripts in MATLAB or Octave to automate process analysis. - Analyze simulation results to optimize reactor performance and understand sensitivity to key parameters. The course begins with core definitions of numerical methods and reactor theory, gradually building up to hands-on modeling scenarios where you translate physical equations into working simulation code. Designed for beginner chemical engineering students and process engineers new to numerical simulation, this course requires no advanced programming background. Start mastering the numerical tools essential for modern chemical process design today.