Simulate a Batch Reactor using Python Code! |Simple Explanation | Hands-on Practice

This is a simple video to explain how to simulate a second-order reaction taking place in a batch reactor using Python.

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Code:
import numpy as np
import matplotlib.pyplot as plt
from scipy.integrate import odeint

# Simulation parameters
t_start = 0 # Start time
t_end = 100 # End time
initial_concentration_A = 1.0 # Initial concentration of A (in moles/volume)
initial_concentration_B = 0.5 # Initial concentration of B (in moles/volume)
initial_concentration_C = 0 # Initial concentration of C (in moles/volume)
rate_constant = 0.05 # Rate constant (in volume/(moles.time))

# Define the system of differential equations
def reactionODEs(y, t):
A, B, C = y
dA_dt = -rate_constant * A * B
dB_dt = -rate_constant * A * B
dC_dt = rate_constant * A * B
return [dA_dt, dB_dt, dC_dt]

# Set up the initial conditions
initial_conditions = [initial_concentration_A, initial_concentration_B, initial_concentration_C]

# Time points for simulation
t = np.linspace(t_start, t_end, 500)

# Solve the ODEs numerically
concentrations = odeint(reactionODEs, initial_conditions, t)

# Extract concentrations of A, B, and C from concentrations array
concentration_A = concentrations[:, 0]
concentration_B = concentrations[:, 1]
concentration_C = concentrations[:, 2]

# Plot the concentrations vs. time
plt.plot(t, concentration_A, 'r', label='[A]')
plt.plot(t, concentration_B, 'b', label='[B]')
plt.plot(t, concentration_C, 'g', label='[C]')
plt.xlabel('Time (s)')
plt.ylabel('Concentration')
plt.legend()
plt.title('Batch Reactor Simulation with Second-Order Reaction')
plt.show()



Standard Reference books:
1. Chemical Reaction Engineering, 3rd Ed. by Octave Levenspiel
2. Elements of Chemical Reaction Engineering, 6th Ed. by H. Scott Fogler