The Oregonator model, a stiff system of 3 non-linear Ordinary Differential Equations, was proposed back in 1972 by Richard J. Field, Endre Körös and Richard M. Noyes for the description of the Belousov–Zhabotinskii reaction and is nowadays a popular test problem available in different Test sets for Initial Value Problem Solvers. A batch reactor model for the concentration of the intermediate species hypobromous acid $HBrO2$ , bromide $Br−$ and $CeIV$ is given by the next equation system:

$$\frac{dc_{HBrO2}}{dt}=s\cdot (c_{Br}-c_{HBrO2}\cdot c_{Br}+c_{HBrO2}-q\cdot (c_{HBrO2})^{2})$$ $$\frac{dc_{Br}}{dt}=\frac{1}{s}\cdot (-c_{Br}-c_{HBrO2}\cdot c_{Br}+c_{CeIV})$$ $$\frac{dc_{CeIV}}{dt}=w\cdot (c_{HBrO2}-c_{CeIV})$$

The values of the parameters $s$, $q$ and $w$ are given in the next steps written below. Enter the Oregonator model into MOSAIC and solve it using different solvers, such as C++ BzzMath ODE Stiff Obj.

  • Design values:
$$q=8.375\cdot 10^{-6}$$ $$s=77.27$$ $$w=0.161$$
  • Time domain and initial values for the state variables:
$$t=[0,360]$$ $$c_{HBrO2}=1.0$$ $$c_{Br}=2.0$$ $$c_{CeIV}=3$$

Again, the first step is the definition of the used variables in a notation file. You will have to create a new notation. Besides the state variable $c$, the time $t$ and the parameters $q$, $s$, $w$ you will have to create proper subscribts in order to fulfill the equations given above. To include subscripts you need to select the Subscript tab in the notation editor. There you add the subscripts the same way as you add base names.

Please answer the questions below before you start to working through the exercise.

Do you ever have to mathematicaly model the concentrations of chemicals over time in a system?

How often do you need to complete the task of mathematicaly modelling the concentrations of chemicals in a system over time?

How well do you think you complete the task of creating the notation for this excecise?

How well do you think you complete the task of creating the equations for this excecise?

How well do you think you complete the task of creating the equation system for this excecise?

How well do you think you complete the task of performing the evaluation for this excercise?