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+--- Thread: Hi can you help me this reaction kinetics (/thread-36365.html)
Hi can you help me this reaction kinetics - Vengdasan - Feb-11-2022
import numpy as np
from scipy.integrate import odeint
import matplotlib.pyplot as plt
import math
def rxn(M,t):
R = 8.314
T = 415
K1 = (2.19*10**-1)*(math.exp((-1.148*10**5)/R*T)) #KTi
K2 = (1.051*10**4)*(math.exp((-2.957*10**4)/R*T)) #Kp
K3 = (2.31*10**3)*(math.exp((-5.302*10**4)/R*T)) #Ktrm
K4 = (2.0497*10**3)*(math.exp((-5.24*10**4)/R*T)) #Ktrs
K5 = (6.275*10**5)*(math.exp((-7.026*10**4)/R*T)) #Ktc
K6 = 0
dMdt = -2*K1*(M[1]**3)-(K2+K3)*(M[1])*(M[3])
dSdt = -K4*M[2]*M[3]
dY0dt = 2*K1*(M[1]**3)-(K5+K6)*M[3]**2
dU0dt = K3*M[3]*M[1]+K4*M[3]*M[2]+K6*M[3]**2+0.5*K5*M[3]**2
dY1dt = 2*K1*M[1]**3+K2*M[1]*M[3]-K3*M[1](M[3]-M[4])-K4*M[2]*(M[3]-M[4])-(K5+K6)*M[3]*M[4]
dU1dt = K3*M[4]*M[1]+K4*M[4]*M[2]+(K5+K6)*M[3]*M[4]
return (dMdt,dSdt,dY0dt,dU0dt,dY1dt,dU1dt)
t = np.linspace(0,400,20)
M0 = [7632.2,587.47,0,0,0]
Conc = odeint(rxn,M0,t)
cM = Conc[:,0]
cS = Conc[:,1]
cY0 = Conc[:,2]
cU0 = Conc[:,3]
cY1 = Conc[:,4]
cU1 = Conc[:,5]
plt.plot(t,cM)
plt.plot(t,cS)
plt.plot(t,cY0)
plt.plot(t,cU0)
plt.plot(t,cY1)
plt.plot(t,cU1)
plt.xlabel('time')
plt.ylabel('Concentration')Error:'numpy.float64' object is not callableRE: Hi can you help me this reaction kinetics - jefsummers - Feb-11-2022
Need the complete error code. Lots of added info that is needed to analyze. Complete code as well.
RE: Hi can you help me this reaction kinetics - BashBedlam - Feb-11-2022
When I run the posted script just as it is, I get:
Error:Traceback (most recent call last):
File "tester.py", line 31, in <module>
Conc = odeint(rxn,M0,t)
File "/home/bash/.local/lib/python3.8/site-packages/scipy/integrate/odepack.py", line 241, in odeint
output = _odepack.odeint(func, y0, t, args, Dfun, col_deriv, ml, mu,
File "tester.py", line 25, in rxn
dY1dt = 2*K1*M[1]**3+K2*M[1]*M[3]-K3*M[1](M[3]-M[4])-K4*M[2]*(M[3]-M[4])-(K5+K6)*M[3]*M[4]
TypeError: 'numpy.float64' object is not callable
shell returned 1RE: Hi can you help me this reaction kinetics - Vengdasan - Feb-12-2022
Actually, I have to do virtual lab using python GUI. For that I have use and solve some odes that other researchers drive. Here are the odes and constants. Actually I learn MATLAB only my lecturers also mastered in MATLAB only. I hope u guys can help me to do my project I will post credits for u all in my report.
Equation : https://drive.google.com/file/d/1OnJNGV7bZmVSNoNih9tgWyl90XM6LUXY/view?usp=sharing
K constant : https://drive.google.com/file/d/1qiwTLp6g_X-1vgp9Y30v4UQdUR-lMyfz/view?usp=sharing
RE: Hi can you help me this reaction kinetics - jefsummers - Feb-13-2022
I see the error. In that line (21 in your posted code, 25 when BashBedlam ran it) you need an operator in the middle of
(Feb-11-2022, 03:54 PM)Vengdasan Wrote: K3*M[1](M[3]-M[4])
As it stands, you are calling M[1] a function which it is not, because M[1] is followed immediately by the parentheses.