Electronic resources to Numerical modelling of non-ideal catalytic systems

Welcome

This website contains a collection of additional electronic source material associated with the book Numerical modelling of non-ideal catalytic systems. Both the book and the website are associated with the course Catalysis, Science and Technology given in the Master Curriculum Chemical Engineering at the Eindhoven University of Technology, though the more auto-didactic oriented students can also use the resources as provided here for their own study.

Tip

Just here to grab an electronic copy of the book? You can obtain the latest version via this download link.

How to use this website

• If you are visiting this website for the first time, head over to the getting started section section and obtain an electronic copy of the book and follow the instructions to install a Python development environment.

• Read the chapters, one by one, in the book. The book focuses on the fundamental concepts and the derivations of the numerical routines whereas the scripts on this website show the implementation of those routines.

• Several example scripts, including the expected output result, are given for each chapter. After reading a chapter, head over to the corresponding page (use the right hand side panel for easy navigation) and go through the example scripts. To deepen your understanding of the numerical procedures, make changes to the variables and investigate how these changes propagate throughout the script.

License

Unless otherwise specified, all the material on this website, including the scripts, are shared under the CC BY-SA 4.0 license.

Feedback

We always appreciate receiving feedback on our lecture material. If you spot any errors on this website or in the book, feel free to drop a line to i.a.w.filot@tue.nl.

Contents:

• Getting started
  • Obtaining a copy of the course book
  • Python development environment
• Chapter 1: Numerical modelling of chemical reactors
• Chapter 2: Finite discretization methods
  • Script 1: Ideal Plug-flow reactor
  • Script 2: Ideal plug-flow reactor with multiple components
  • Script 3: Comparing finite difference with finite volume
  • Script 4: Calculating finite difference coefficients
• Chapter 3: Non-ideal tubular reactor
  • Script 1: Linear reaction terms
  • Script 2: Effect of varying Péclet numbers
  • Script 3: Non-Linear reaction term with root finding
• Chapter 4: Orthogonal Curvilinear Coordinates
• Chapter 5: Reaction-diffusion in spherical pellets
  • Script 1: Non-dimensionalized reaction-diffusion in spherical coordinates
  • Script 2: Effect of temperature on the Thiele modulus
  • Script 3: Arbitray reaction and explicit time-integration
  • Script 4: Reaction-diffusion in a spherical particle with arbitrary order kinetics using explicit time integration
• Chapter 6: Non-isothermal catalyst particles
  • Script 1: Weisz-Hicks model system
• Code Formatting
  • Style guide
  • Exceptions

Indices and tables

• Index

• Module Index

• Search Page