Name: Adithyadev Malikayil

Reg No: 19BCM0006

Computational Methods in Process Engineering – (CHE 3001)

LAB EXPERIMENT 2

AIM
To develop a Matlab code for Newton Raphson and Secant method for the given problem.
PROBLEM
To determine the molar volume of carbon dioxide gas (1 mole) at 373 K and 50 atm,
develop a Matlab code for the Newton Raphson and secant method. The molar volume
of the gas is given by the Van der Waals equation • Data: Van der Waals constants for
carbon dioxide: a = 3.61 L2atm/mol2 ; b = 0.0428 L/mol. Universal gas constant, R =
0.080206 L.atm/mol.K. Stopping criteria, εs = 0.00001%.
THEORY
1. Newton Raphson method:
• Function f(x) , f(x)=0
• One initial guess is required I.e., xo. xo is some point nearer to the root.
• Requires the calculation of the function's derivative
• The formula for estimation of root is given as xi+1 = xi – f(xi)/f’(xi)
2. Secant Method:
• Improved form of regular falsi method.
• Function f(x) is f(x)=0
• Two initial guesses are required x0,x1
• The formula for estimation of root is given as xi+1=xi--f(xi)(xi-xi-1)/f(xi)-f(xi-1)
such that x0 and x1 are two guesses for the root such that f(x0)f(x1)< 0, i.e., f (x)
changes sign between x0 and x1
ALGORITHM

1. Newton Raphson Method

Step – 1
• Evaluate f ‘(x)
symbolicallyStep – 2
• Estimate the new value of the root, xi+1 . Use initial guess (xi ) for NR Method
xi+1 = xi –f(xi)/f’(xi)
Step – 3
• Find the absolute relative approximate
error asI€aı = |xi+1 – x1/xi+1 | * 100
• Compare the absolute relative approximate error I€aı with the pre-specified
relative errortolerance €s
• If I€aı > €s then go to Step 2, else stop the algorithm.
2. Secant method
Step – 1
• Use initial guesses. Choose x0 and x1 as two guesses for the root such that
f(x0)f(x1)< 0, orin other words, f(x) changes sign between x0 and x1
Step – 2
• Estimate the new value of the
root, xi+1xi+1=xi--f(xi)(xi-xi-1)/f(xi)-
f(xi-1)
Step – 3
• Find the absolute relative approximate
error asI€aı =ı xi+1 – x1/xi+1 ı * 100
• Compare the absolute relative approximate error I€aı with the pre-specified
relative errortolerance €s
If I€aı > €s then go to Step 2, else stop the algorithm.

CODE

1. Newton Raphson Method:

clc
clear all
disp('Adithyadev M')
disp('19BCM0006')
syms v
p=input('Enter pressure = ');
T=input('Enter temperature = ');
a=input('Enter of value of constant a = ');
b=input('Enter value of constant b = :');
R=input('Enter value of R = :');
%taking n=1
f(v)= (p*v)-(p*b)+(a/v)-(a*b/v^2)-(R*T);
fd=diff(f);
tol=input('Enter tolerance limit:');
x=input('Enter initial guess:');
for i=1:500
r=f(x(i))/fd(x(i));
x(i+1)=x(i)-r;
error=abs(((x(i+1)-x(i))/x(i+1)))*100;
q(i)=i;
s(i)=error; if error<=tol break;
end
end
fprintf('The root is:%f\n',x);
fprintf(' Iteration:%f',i);
plot(q,s);
title('Convergence');
xlabel('Iteration number');
ylabel('Absolute error');
CODE:
 2. Secant method:

disp('Adithyadev M')
disp('19BCM0006')
syms v
P=input('Enter pressure = ');
T=input('Enter temperature = ');
a=input('Enter of value of constant a = ');
b=input('Enter value of constant b = :');
R=input('Enter value of R = :');
%taking n=1
f(v)= (P*v)-(P*b)+(a/v)-(a*b/v^2)-(R*T);
x0=input('Enter the first guess:');
x1=input('Enter the second guess:');
tol=input('Enter the tolerance:');
for i=1:100
r=(f(x1)*(x1-x0))/(f(x1)-f(x0));
x2=x1-r;
err=abs(r/x2)*100;
q(i)=i;
s(i)=err;
if err<tol break;
else
x0=x1; x1=x2;
end
end
fprintf('The root is:%f\n',x2);
fprintf('Iteration:%d',i);
plot(q,s);
title('Secant Method');
xlabel('Iteration number');
ylabel('Absolute error');
CODE:

OUTPUT:
1. Newton Raphson Method
2. Newton Raphson Method
Conclusion

As compared to secant newton is faster. Knowledge of derivative is required for

newtonmethod. Two initial guesses are required for secant method.