TUTORIAL WEEK 6

Iterative Methods
▪ Wegstein Method

Prepared : Suffiyana Akhbar

 TUTORIAL WEEK 6

3.0 Applied Numerical Method with Application

CLO 6 Identify the types of iterative methods available: Wegstein

Method
CLO 7 Apply Wegstein method to solve chemical engineering problems
 EXAMPLE 1
The elementary reaction of component A to produce desired
product, B and byproduct, C is carried out in a jacketed continuous
stirred tank reactor (CSTR) with 1st order reaction, k. Pure of A enters
reactor at a flow rate of 12 mol/s and a temperature of 298 K. The
reaction is exothermic and cooling water at 323 K is used to absorb
the heat generated. By assuming constant heat capacity and equal
heat capacity of both sides of the reaction, energy balance of this
system can be written as

−𝐹𝐴𝑂 𝑋∆𝐻𝑅 = 𝐹𝐴𝑂 𝐶𝑝𝐴 𝑇 − 𝑇𝑂 + 𝑈𝐴(𝑇 − 𝑇𝑎 )

Where
𝐹𝐴𝑂 = molar flow rate, mol/s
X = conversion
∆𝐻𝑅 = heat of reaction, J/mol A
𝐶𝑝𝐴 = heat capacity of A, J/mol A. K
T = reactor temperature, K
𝑇𝑎 = cooling water temperature, K
𝑇𝑜 = inlet reactor stream temperature, K
U = overall heat transfer coefficient, W/m2.K
A = heat transfer area, m2
 EXAMPLE 2
For first order reaction, the conversion can be calculated from

10𝑘
𝑋=
1 + 10𝑘

Where k is the specific reaction rate in s -1 defined by the Arrhenius

formula

𝑘 = 650𝑒𝑥𝑝 −3800Τ𝑇

With additional data in Table 1:

Parameters Values
∆𝐻𝑅 -1500 kJ/mol
𝐶𝑝𝐴 4500 J/mol.K
UA/𝐹𝐴𝑂 700 W.s/mol.K
 EXAMPLE 2
a) Prove that the equation of reactor temperature, T(x) from the
energy balance lead as follows:

1500000𝑋 + 1567100
𝑇 𝑋 =
5200

b) Determine the root of temperature that satisfied the energy

balance for this system using Wegstein’s method. Start with
initial estimated value of 330 K, with an error tolerance of 10-4.
 SOLUTION (a):
Step 1: Simplified the energy balance equation given

−𝐹𝐴𝑂 𝑋∆𝐻𝑅 = 𝐹𝐴𝑂 𝐶𝑝𝐴 𝑇 − 𝑇𝑂 + 𝑈𝐴(𝑇 − 𝑇𝑎 )

𝐹𝐴𝑂 𝐶𝑝𝐴 𝑈𝐴
𝑋∆𝐻𝑅 = 𝑇 − 𝑇𝑂 + (𝑇 − 𝑇𝑎 )
−𝐹𝐴𝑂 −𝐹𝐴𝑂

𝑈𝐴
𝑋∆𝐻𝑅 = −𝐶𝑝𝐴 𝑇 − 𝑇𝑂 − (𝑇 − 𝑇𝑎 )
𝐹𝐴𝑂

Step 2: Substitute all the given data into the EB equation and
simplified

𝑘𝐽 𝐽 𝐽. 𝑠
𝑋 −1500 = −4500 𝑇 − 298 − 700 (𝑇 − 323
𝑚𝑜𝑙 𝑚𝑜𝑙. 𝐾 𝑠. 𝑚𝑜𝑙. 𝐾

1500000𝑋 = 4500 𝑇 − 298 + 700(𝑇 − 323)

 SOLUTION (a):
1500000𝑋 = 5200𝑇 − 1567100

5200𝑇 = 1500000𝑋 + 1567100

1500000𝑋 + 1567100 Proven

𝑇 𝑋 =
5200
 SOLUTION (b):
1500000𝑋 + 1567100
𝑇 𝑋 = Equation 1
5200

Where; 10𝑘
𝑋=
1 + 10𝑘 Equation 2

𝑘 = 650𝑒𝑥𝑝 −3800Τ𝑇 Equation 3

 SOLUTION (b):
Step 3: Solving using Wegstein method; (i)determine the T1 calculate
(T1c) by substitute T1g into Equation 3, 2 and 1.

Given; T1 guess (T1g) = 300K

(i) substitute T1g 𝑘 = 650𝑒𝑥𝑝 −3800Τ𝑇

into Equation 3 𝑘 = 650𝑒𝑥𝑝 −3800Τ300
to find k value
𝑘 = 0.006486
10𝑘
𝑋=
1 + 10𝑘
(ii) substitute k
10(0.006486) into Equation 2
𝑋=
1 + 10(0.006486) to find X value
(iii) substitute X
into Equation 1 𝑋 = 0.060905
to find T value
 SOLUTION (b):
1500000𝑋 + 1567100
𝑇 𝑋 =
5200
1500000(0.060905) + 1567100
𝑇 𝑋 =
5200
𝑇 𝑋 = 318.9343𝐾 T1c

Step 4: Solving using Wegstein method; (i)determine the T2 calculate

(T2c) by substitute T2g into Equation 3, 2 and 1.

T2g is not given. Assume T2c as T2g

Assume; T2 guess (T2g) = 318.9343K

 SOLUTION (b):
Assume; T2 guess (T2g) = 318.9343K

(i) substitute T2g 𝑘 = 650𝑒𝑥𝑝 −3800Τ𝑇

into Equation 3
to find k value 𝑘 = 650𝑒𝑥𝑝 −3800Τ318.9343

𝑘 = 0.004349

10𝑘
𝑋=
1 + 10𝑘
(ii) substitute k
10(0.004349 )
𝑋= into Equation 2
1 + 10(0.004349 ) to find X value
𝑋 = 0.041677

(iii) substitute X
into Equation 1
to find T value
 SOLUTION (b):
1500000𝑋 + 1567100
𝑇 𝑋 =
5200

1500000(0.041677 ) + 1567100
𝑇 𝑋 =
5200

𝑇 𝑋 = 313.3876 T2c

Step 5: Solving using Wegstein method; (ii)determine Tnew using

Wegstein formula
𝑇1 𝑔 𝑇2 𝑐 − 𝑇1 𝑐 𝑇2 𝑔
𝑇 𝑛𝑒𝑤 = 𝑔
𝑇1 − 𝑇2 𝑔 + 𝑇2 𝑐 − 𝑇1 𝑐
300(313.3876) − 318.9343(318.9343)
𝑇 𝑛𝑒𝑤 =
300 − 318.9343 + 313.3876 − 318.9343

𝑇 𝑛𝑒𝑤 = 307.8131
 SOLUTION (b):
Step 6: Determine the Tnew calculate (Tnewc )

𝑇 𝑛𝑒𝑤 = 307.8131 Tnewg

Calculate the Tnew calculate (Tnewc ) by substitute Tnewg into Equation

3, 2 and 1.

𝑘 = 650𝑒𝑥𝑝 −3800Τ307.8131 (i) substitute Tnewg into

Equation 3 to find k value
𝑘 = 0.002828
10(0.002828 )
𝑋=
1 + 10(0.002828 ) (ii) substitute k into Equation 2
to find X value
𝑋 = 0.027502

1500000(0.027502 ) + 1567100 (iii) substitute X into

𝑇 𝑋 = Equation 1 to find
5200
Tnewc value
𝑇 𝑋 = 309.2987𝐾 Tnewc
 SOLUTION (b):
Step 7: Calculate the tolerance error

𝑇1 𝑐 − 𝑇1 𝑔 309.2987 − 307.8131
𝑇𝑜𝑙𝑒𝑟𝑎𝑛𝑐𝑒 𝑒𝑟𝑟𝑜𝑟 = =
𝑇1 𝑐 309.2987

𝑇𝑜𝑙𝑒𝑟𝑎𝑛𝑐𝑒 𝑒𝑟𝑟𝑜𝑟 = 0.004803 > 1x10-4

Step 8: Continue the iterative until Tguess = Tcalculate with tolerance error
1x10-4
 SOLUTION (b):
𝑔
𝑇1 𝑐 − 𝑇1
ԑ=
𝑇1 𝑐

Tguess (K) k X Tcalculate (K) Tolerance

error
No of
iteration

330 0.006486 0.060905 318.9343 0.03470

1
318.9343 0.004349 0.041677 313.3876 0.0177
2
307.8131 0.002828 0.027502 309.2987 0.004803
3 310.1625 0.003105 0.030115 310.0524 0.000355
310.0004 0.003087 0.029936 310.0008 0.0000013

< 1x10-4
Therefore; T= 310.0008K Final answer