Scribd
Upload
18 views

04 Tutorial Simpson Method

The document discusses the Simpson 1/3 Rule method for numerical integration, which uses a general formula to approximate the integral of a function between bounds using evenly spaced sample points. It then presents an example problem involving calculating the height of a reactor as a function of conversion for a catalytic reaction using the Simpson's 1/3 rule. Finally, it outlines the structure of a program that would calculate and graph the reactor height versus conversion using the Simpson's 1/3 rule method.

Uploaded by

POLIURETANM. RIZKI KHOERUL FADILAH
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
18 views

04 Tutorial Simpson Method

The document discusses the Simpson 1/3 Rule method for numerical integration, which uses a general formula to approximate the integral of a function between bounds using evenly spaced sample points. It then presents an example problem involving calculating the height of a reactor as a function of conversion for a catalytic reaction using the Simpson's 1/3 rule. Finally, it outlines the structure of a program that would calculate and graph the reactor height versus conversion using the Simpson's 1/3 rule method.

Uploaded by

POLIURETANM. RIZKI KHOERUL FADILAH
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
You are on page 1/ 4

Numerical Integration:

Simpson 1/3 Rule Method

Muhammad Mufti Azis, Ph.D


Tim Praktikum Komputasi DTK 2020
Undergraduate Program Chemical Engineering,
Faculty of Engineering, UGM, Indonesia
Simpson 1/3 Rule Method
• General formula:
 
b−a  n −1 n−2
b

 f ( x)dx = f ( x0 ) + 4  f ( xi ) + 2  f ( xi ) + f ( xn )
3n  i =1 i =2

a
 i = odd i = even 
The number of discretization points should be an even number ( or in other word,
the total number of points is an odd number)
Exercise Problem
A catalytic reaction A (g) → B (g) is carried out in an isothermal circulating fluidized bed reactor.
For reactions with surface-limited reaction mechanism, where A and B are absorbed on the
surface of the catalyst, the reaction rate equation is:
𝑘1 𝐶𝐴
−𝑟𝐴 =
1 + 𝑘2 𝐶𝐴 + 𝑘3 𝐶𝐵
The rA is the reaction rate in kmol/m3.s, CA and CB are concentrations of A and B in kmol/m3.
Parameter k1, k2 and k3 represents the reaction rate constant. It is also assumed that the
catalyst moves upward at the same velocity as the gas of U m/s.
From mass balance in the reactor, we can estimate the height of the reactor as a function of
conversion as:
𝑥
1
𝑧 = 𝐶𝐴0 𝑈 න 𝑑𝑥
0 −𝑟𝐴

With: CA = CA0 (1-X) and CB = CB0 (1+X)


Calculation data: CA0=0.2 kmol/m3, CB0=0, U=7.5 m/s, k1 = 8 s-1, k2 = 3 m3/kmol, and k3 =
0.01 m3/kmol .
Make a table and graph which shows z and x in the range of: 0≤x≤0.9
Program Structure
#Main program xfinal X Function to calculate Y
#Data CA=CA0*(1-X)
… Program …
Simpson rA=…
Y=1/rA
#Calculation process

3
Integration
Prepare a vector of xfinal
for loop to access each value of
result
2 Y
xfinal
…
#Plotting and prepare table 1
Integration result xf [1]
Integration result xf [2]
…
Integration result xf [N]

You might also like