NATIONAL INSTITUTE OF TECHNOLOGY KARNATAKA

Department of Chemical Engineering

PD704/CH361 Process Modeling and Simulation
Assignment #2

Due: Monday, 16th April, 2018 5:00 PM

1. The complex chemical reaction shown in the following is carried out in an

isothermal, constant-volume batch reactor. All the reactions follow simple
first-order kinetic rate relationships, in which the rate of reaction is directly
proportional to concentration.
k1 = 0.03s-1, k2 = 0.04s-1, k3 = 0.02s1, k4 =
0.01s-1
a. Write the model equations for each
component of this system.
b. Find the concentration of component A,
B, C and D at time, t = 2sec using RK4
method. CA(0) = 10 mol/L, CB(0) = CC(0)
= CD(0). Time interval = 0.5s.

2. Consider a sphere of radius 0.4cm. Initially the temperature is uniform at

20oC. The temperature of the sphere surface is made 300oC at t = 0s. Use
implicit discretization and take ∆r = 0.1cm, ∆t = 0.1s and α = 10-5 m2/s. List
the tridiagonal system of equations and determine the temperature at the
center and the intermediate points of the sphere up to 0.5s.

3. Using the Gauss-Seidel Method, determine the temperatures at positions 1, 2,

3 and 4 shown in Figure.

700oC
4 1
100oC 3 2 400oC

500oC

4. Using Newton Raphson and Secant method, calculate the boiling point and
dew point temperatures (in oC) for acetone and water at 101.325kPa for feed
composition z1 = 0.9. Assume the system follows Raoult’s law.
5. Given

d2y
 2  y  e  t , with y 0   1, 0   2
dy dy
2
dt dt dt

Find the following by Euler’s Explicit method and Heun’s method

a. y(0.75)
b. the absolute relative true error for part(a), if y(0.75) = 1.668
c.
dy
0.75
dt
Use a step size of h = 0.25

6. An investigator has reported the data tabulated below for an experiment to

determine the growth rate of bacteria k (per d), as a function of oxygen
concentration C (mg/L). It is known that such data can be modeled by the
following equation:
𝑘𝑚𝑎𝑥 𝐶 2
𝑘=
𝐶𝑠 + 𝐶 2
where Cs and kmax are parameters. Use a transformation to linearize this
equation. Then use linear regression to estimate Cs and kmax and predict the
growth rate at C = 2 mg/L.

C 0.5 0.8 1.5 2.5 4

k 1.1 2.4 5.3 7.6 8.9

7. Consider the following reaction rate vs. temperature:

# 1 2 3 4 5 6 7
Temperature 430 440 450 460 470 480 490
Rate Constant 0.0026 0.0057 0.0118 0.0236 0.0460 0.0873 0.1800

Use the Arrhenius kinetic to determine the pre-exponential factor, k0, and
the activation energy, EA.

***Good Luck***