CHE 555 NUMERICAL METHODS & OPTIMIZATION

ASSIGNMENT 2
ANSWER ALL QUESTIONS
This is a group assignment (3 members) which has to be submitted on 13/05/2016.
(Standardize all the calculation up to 4 decimal points).

QUESTION 1
The relationship between substrate concentration and initial rate of reaction is shown in the
following model.
vo

kS 3
A S3

Where S is the substrate concentration (M), v0 is the initial rate of reaction (10-6 M/s), while
k and A values are the parameters. Fit this model to the data that tabulated in Table 1.
Determine the k and A values by using Equation 1 and Matric form 1.
Table 1 Rate of reaction data for enzymatic reaction
Substrate concentration, M Initial rate, 10-6 M/s

Equation 1:

a1

0.1

6.347 x 10-2

0.5

6.005

17.690

24.425

10

24.491

n x i yi x i yi
n x i2 x i

a 0 y a1 x

and Matric form 1:

x
x

a0

a1
i
i
2

y
x y
i

(20 marks)

QUESTION 2
A batch reactor is used to produce chemical R. The liquid reaction is A + B R, and the rate
of reaction is given in Table 2. By using a combination of the Trapezoidal rule, Simpsons 1/3
rule and Simpsons 3/8 rule, determine the reaction time for the concentration of reactant A to
drop from CA0 = 1.2 mol/liter to CAf = 0.2 mol/liter.
Given:
t

C Af

C AO

1
dC A
rA

Table 2: Rate of reaction of R product

CA , mol/liter
0.2
0.4
0.6
0.7
0.8
0.9
1.2

-rA , mol/liter.min
0.3
0.6
0.25
0.1
0.06
0.055
0.045
(20 marks)

QUESTION 3
Solve Question 1 by using Solver in Excel. Write the details steps and print out the worksheet
of this problem.
(10 marks)