CHE 555 NUMERICAL METHODS & OPTIMIZATION

ASSIGNMENT 2

ANSWER ALL QUESTIONS

This is a group assignment (3 members) which has to be submitted within ONE week.
(Standardize all the calculation up to 4 decimal points).

QUESTION 1

The chemical reaction of Butanol is shown in the following model.

dC
kC n
dt

Where C is the substrate concentration (M), t is time (s), while k is the initial rate of reaction,
and n is chemical reaction rate. Fit this model to the data that tabulated in Table 1. Determine
the k and n values.

Table 1 Rate of reaction data for enzymatic reaction

Time, t Substrate concentration, M

10 4.65

20 3.75

30 2.54

40 1.57

50 0.73

60 0.42

(20 marks)

QUESTION 2

Solve Question 1 by plotting the graph in Excel. Write the details steps and print out the
worksheet of this problem.

(10 marks)
QUESTION 3

The chemical reaction of product R is A + B R and the reaction rate of product R is given
in Table 2. Determine the reaction time of reactant A concentration to drop from C A0 = 1.2
mol/liter to CAf = 0.2 mol/liter.

Given:

C Af 1
t
C AO rA
dC A

Table 2: Rate of reaction of R product

CA , mol/liter -rA , mol/liter.min

1.2 0.045
0.9 0.055
0.8 0.06
0.7 0.1
0.6 0.25
0.4 0.6
0.2 0.3
(20 marks)