Chemical Reaction Engineering - Assignment 1

Chemical Reaction Engineering - Assignment 1#

Instructions#

Please use Python to solve the exercises below.

You should hand in a Jupyter Notebook with your answers. When handing in, you are welcome to submit additional material you may have used, such as a scan of the paper to solve parts of the equations, Word and PDF documents and similar.

The exercises sum up to a total of 12 points, but you only need 10 points to get top marks.

You will also get partial points for trying to solve the different exercises.

Assignment 1#

In your company, you need to evaluate the composition of the feed stream (containing only A and B) of an isothermal gas-phase reaction expressed as:

\(A+\frac{1}{12}B→\frac{1}{6}C+\frac{1}{2}D\)

  1. First, set up the stoichiometric table for the reaction for a flow reactor with constant pressure (2 points). Afterward, write the concentrations of A, B, C and D as function of the conversion X (1 point).

# Set up the stoichiometric table for the reaction for a flow reactor with constant pressure

# Your code here

# Write the concentrations of A, B, C and D as function of the conversion X 

# Your code here

During a laboratory experiment, you measure in a batch reactor with constant volume:

$\( Time (h) \)$

$\( Cc (mol \cdot m^{-3}) \)$

0

0

2

2,5

4

3,13

6

3,41

8

3,57

10

3,68

12

3,75

14

3,81

16

3,85

18

3,88

20

3,91

  1. First of all, create a pandas dataframe of the data in the table below (0,2 points).

# Create pandas dataframe

# Your code here
df = pd.DataFrame()
df['Time'] = [0, 2, 4, 6, 8, 10, 12, 14, 16, 18, 20]
df['Cc'] = [0, 2.5, 3.13, 3.41, 3.57, 3.68, 3.75, 3.81, 3.85, 3.88, 3.91]
df['Ca'] = [c*2 for c in df['Cc']]

---------------------------------------------------------------------------
NameError                                 Traceback (most recent call last)
Cell In[3], line 4
      1 # Create pandas dataframe
      2 
      3 # Your code here
----> 4 df = pd.DataFrame()
      5 df['Time'] = [0, 2, 4, 6, 8, 10, 12, 14, 16, 18, 20]
      6 df['Cc'] = [0, 2.5, 3.13, 3.41, 3.57, 3.68, 3.75, 3.81, 3.85, 3.88, 3.91]

NameError: name 'pd' is not defined

  1. Calculate the rate of the reaction, which follows the expression:

\(-\frac{dC_A}{dt} = k{C_{A}}^n\)

To do so, consider that this data is obtained with a constant volume reactor and the initial concentration of \(C_A\) is 25 \(mol \cdot m^{-3}\). Choose between using the differential or the integral method (2 points).

Back up your answer with the other method (0,8 points).

Hint: linear regression

# Calculate the rate of the reaction

# Your code here

  1. Plot the concentrations of A, B, C and D versus time. Explain the assumption you have made (1 point).

# Plot the concentrations of A, B, C and D versus time

# Your code here

  1. Finally, correlate the rate constant k with the temperature through the Arrhenius expression. Calculate the activation energy (0,75 point) and the Arrhenius constant (0,75 point) using the data below:

$\( Temperature (^\circ C) \)$

$\( {k (m^3 \cdot mol^{-1} \cdot h^{-1})} \)$

25

0,02764

30

0,03548

35

0,04519

45

0,07165

Hint: \( R = 8.314 J \cdot mol^{-1}·K^{-1} \)

Plot the relation between the rate constant k and the temperature (0,5 point).

# Calculate the activation energy

# Your code here

# Calculate the Arrhenius constant

# Your code here

# Plot the relation between the rate constant k and the temperature

# Your code here

  1. Write the complete kinetic expression written with the concentration of \(C_A\) expressed with help of the initial concentration \(C_{A0}\) and X (1 point).

Note: You can also write the complete kinetic expression on paper and upload the file/image here.

# Write the complete kinetic expression

# Your code here
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