UNIVERSIDAD DE LA SABANA

MODELADO Y SIMULACIÓN EN INGENIERÍA QUÍMICA

Workshop – Attainable region

Statement
Construct the attainable region for the Van de Vusse kinetics (Van de Vusse, 1964), based on the reactions:
𝑘1/𝑘2 𝑘3
𝐴 ⇔==⇒ 𝐵 ⇒ 𝐶
𝑘4
2𝐴 ⇔ 𝐷
Reactions 1, 2, and 3 are first-order in A, B, and C, respectively, while reaction 4 is second-order in A:

𝑟𝐴 = −𝑘1𝐶𝐴 + 𝑘2𝐶𝐵 − 𝑘4𝐶𝐴2

𝑟𝐵 = 𝑘 1 𝐶𝐴 − 𝑘 2 𝐶𝐵 − 𝑘 3 𝐶𝐵

𝑟𝑐 = 𝑘3𝐶𝐵
1 2
𝑟𝐷 = 𝑘4𝐶𝐴
2
The rate constants at a particular temperature are: k 1=0.01 s-1, k2=5 s-1, k3=10 s-1, k4=100 m3/(kmol s).
The achievable region should be built by setting as a target, to maximize the concentration of B. Consider
a feed of 1 kmol/m3of A.

Evaluation rubric

Criterion % Description

Presentation, order and writing (must be

Presentation 5
in English).

Introduction 10 Workshop context - attainable region.

Python file as deliverable. Structure of the

Code 40
code. Code reusability.
Results 20 Presentation of the results, example: plots.
Analysis 20 Interpretation of the achievable region.
Conclusions 5 Conclusions of the work.