Numerical Solutions

Code \(\PageIndex{1}\) (Python):

%%python3

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

def rxn1st(C,t,*k):
   
  r1=k[0]*C[0] #k[0]*(concentation of A)
  
  dAdt=-r1 #rate of change of A decreased by forward reaction and increased by reverse reaction
  dBdt=r1 #rate of change of B increased by forward reaction and decreased by reverse reaction
  
  return(dAdt,dBdt)

t=np.linspace(0,10,101) #the first number is the beginning point, the second number is the end, and the third is the number of points.
C0=[1,0] #initial concentrations of A and B
k1=1
k2=0
k=[k1]
C=odeint(rxn1st,C0,t,(k1,k2))

cA=C[:,0] #define cA to give the concentration from the first (zeroth) column of the C array
cB=C[:,1] #define cB to give the concentration from the second column of the C array