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Tasks - Video 01 - Steady-state Haber-Bosch Reaction

In this task the Haber-Bosch process will be simulated by using an ODE solver provided by the crate ode_solvers.

Learn Goals

General:

  • (advanced) Model a reaction system as ordinary differential equations (ODEs).
  • (easy) Use a ODE-Solver to solve the ODEs. This simulate the reaction system.
  • (advanced) Critically Investigate the results of the solver. What about units?

Rust:

  • (easy) Implement and call functions in Rust to modularize your code in Rust.
  • (easy) Implement, instantiate and 'dump' a data structure to the terminal.
  • (advanced) Implement a trait of an external crate, here an solver for ODEs, to use it's functionality with custom types.
  • (advanced) Coarse Theory behind static type system and ownership

Implementation Plan and Coarse Tasks

  1. Add dependency to ode_solvers (version 0.3.7) in cargo.toml
    • Either run cargo add ode_solvers --vers 0.3.7 or edit cargo.toml directly
    • Run cargo build to let the dependencies be built in the background
  2. In main.rs Implement a function that calculates reaction rates via the arrhenius equation
    • Call it and output the results.
  3. In main.rs add a struct HaberBoschModel that contains the model constants as f64
    • Instantiate the struct and output the data by deriving the Debug trait.
  4. Implement the System trait of the ode_solvers crate for the HaberBoschModel struct
    • Therefore use the three concentration equations given in the video
  5. Instantiate the Dop853 solver and use it to integrate the model
    • Output the y_out results to the command line
    • Use an iterator and sum the concentrations in each time step.
    • Compare your results with the solution given in the video

References

As some of your starting your journey with Rust and this course cannot give an in-depth introduction but focuses and solving problems with Rust and on this way just provides enough detail, we want to make you aware of those three very good starter materials:

  1. The Rust Book - Gives an introduction suitable for people who have experiences in other coding languages.
  2. Rust By Examlpe - A collection of code examples with short explanations similiar to the hints.rs files you find in this course.
  3. Rustlings - A project containing small Rust exercises and let you solve them in an interactive way. It follows the structure of the rust book.

Here you will appy, contents of Chapter 3, Chapter 5 and the advanced conept of traits explained in Chapter 10.2.

Chapter 4 contains concepts unique to Rust and to understand the difference between Rust and other languages it is very important and exciting. So we recommend a read but it's fine to skip and be fine if you fully understood after first read through. Most do not.