In [2]:

```
from math import log
#Variable Declaration
Ca0 = [2.3e-4,4.6e-4,9.2e-4] #Initial Concentration of A, M
Cb0 = [3.1e-5,6.2e-5,6.2e-5] #Initial Concentration of B, M
Ri = [5.25e-4,4.2e-3,1.68e-2] #Initial rate of reaction, M
#Calculations
alp = log(Ri[1]/Ri[2])/log(Ca0[1]/Ca0[2])
beta = (log(Ri[0]/Ri[1]) - 2*log((Ca0[0]/Ca0[1])))/(log(Cb0[0]/Cb0[1]))
k = Ri[2]/(Ca0[2]**2*Cb0[2]**beta)
#REsults
print 'Order of reaction with respect to reactant A: %3.2f'%alp
print 'Order of reaction with respect to reactant A: %3.2f'%beta
print 'Rate constant of the reaction: %4.3e 1./(M.s)'%k
```

In [1]:

```
from math import log
#Variable Declaration
t1by2 = 2.05e4 #Half life for first order decomposition of N2O5, s
x = 60. #percentage decay of N2O5
#Calculations
k = log(2)/t1by2
t = -log(x/100)/k
#REsults
print 'Rate constant of the reaction: %4.3e 1/s'%k
print 'Timerequire for 60 percent decay of N2O5: %4.3e s'%t
```

In [ ]:

```
from math import log
#Variable Declaration
t1by2 = 5760 #Half life for C14, years
#Calculations
k = log(2)/t1by2
t = -log(x/100)/k
#REsults
print 'Rate constant of the reaction: %4.3e 1/s'%k
print 'Timerequire for 60 percent decay of N2O5: %4.3e s'%t
```

In [1]:

```
from math import log
#Variable Declaration
kAbykI = 2.0 #Ratio of rate constants
kA = 0.1 #First order rate constant for rxn 1, 1/s
kI = 0.05 #First order rate constant for rxn 2, 1/s
#Calculations
tmax = 1/(kA-kI)*log(kA/kI)
#Results
print 'Time required for maximum concentration of A: %4.2f s'%tmax
```

In [5]:

```
from math import log
#Variable Declaration
T = 22.0 #Temperature of the reaction,°C
k1 = 7.0e-4 #Rate constants for rxn 1, 1/s
k2 = 4.1e-3 #Rate constant for rxn 2, 1/s
k3 = 5.7e-3 #Rate constant for rxn 3, 1/s
#Calculations
phiP1 = k1/(k1+k2+k3)
#Results
print 'Percentage of Benzyl Penicillin that under acid catalyzed reaction by path 1: %4.2f '%(phiP1*100)
```

In [5]:

```
from numpy import arange,array,ones,linalg,log, exp
from matplotlib.pylab import plot, show
%matplotlib inline
#Variable Declaration
T = array([22.7,27.2,33.7,38.0])
k1 = array([7.e-4,9.8e-4,1.6e-3,2.e-3])
R = 8.314
#Calculations
T = T +273.15
x = 1./T
y = log(k1)
A = array([ x, ones(size(x))])
# linearly generated sequence
[slope, intercept] = linalg.lstsq(A.T,y)[0] # obtaining the parameters
# Use w[0] and w[1] for your calculations and give good structure to this ipython notebook
# plotting the line
line = slope*x+intercept # regression line
#Results
plot(x,line,'-',x,y,'o')
xlabel('$ 1/T, K^{-1} $')
ylabel('$ log(k) $')
show()
Ea = -slope*R
A = exp(intercept)
print 'Slope and intercept are, %6.1f and %4.2f'%(slope, intercept)
print 'Pre-exponential factor and Activation energy are %4.2f kJ/mol and %4.2e 1/s'%(Ea/1e3, A)
```

In [55]:

```
from math import exp
#Variable Declaration
Ea = 42.e3 #Activation energy for reaction, J/mol
A = 1.e12 #Pre-exponential factor for reaction, 1/s
T = 298.0 #Temeprature, K
Kc = 1.0e4 #Equilibrium constant for reaction
R = 8.314 #Ideal gas constant, J/(mol.K)
#Calculations
kB = A*exp(-Ea/(R*T))
kA = kB*Kc
kApp = kA + kB
#Results
print 'Forward Rate constant is %4.2e 1/s'%kA
print 'Backward Rate constant is %4.2e 1/s'%kB
print 'Apperent Rate constant is %4.2e 1/s'%kApp
```

In [65]:

```
from math import pi
#Variable Declaration
Dh = 7.6e-7 #Diffusion coefficient of Hemoglobin, cm2/s
Do2 = 2.2e-5 #Diffusion coefficient of oxygen, cm2/s
rh = 35. #Radius of Hemoglobin, °A
ro2 = 2.0 #Radius of Oxygen, °A
k = 4e7 #Rate constant for binding of O2 to Hemoglobin, 1/(M.s)
NA =6.022e23 #Avagadro Number
#Calculations
DA = Dh + Do2
kd = 4*pi*NA*(rh+ro2)*1e-8*DA
#Results
print 'Estimated rate %4.1e 1/(M.s) is far grater than experimental value of %4.1e 1/(M.s), \nhence the reaction is not diffusion controlled'%(kd,k)
```

In [72]:

```
from math import log, e
#Variable Declaration
Ea = 104e3 #Activation energy for reaction, J/mol
A = 1.e13 #Pre-exponential factor for reaction, 1/s
T = 300.0 #Temeprature, K
R = 8.314 #Ideal gas constant, J/(mol.K)
h = 6.626e-34 #Plnak constant, Js
c = 1.0 #Std. State concentration, M
k = 1.38e-23 #,J/K
#Calculations
dH = Ea - 2*R*T
dS = R*log(A*h*c/(k*T*e**2))
#Results
print 'Forward Rate constant is %4.2e 1/s'%dH
print 'Backward Rate constant is %4.2f 1/s'%dS
```