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Assignment Numerical Methods

This document contains 7 questions as part of a chemical engineering assignment on process modeling and simulation. The questions cover a range of topics including writing model equations for a chemical reaction, solving systems of equations using numerical methods like RK4, implicit discretization, and Gauss-Seidel, and analyzing experimental data using linear regression and the Arrhenius equation. Students are asked to find concentrations, temperatures, rate constants, and kinetic parameters based on the provided chemical systems and experimental data.

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102 views

Assignment Numerical Methods

This document contains 7 questions as part of a chemical engineering assignment on process modeling and simulation. The questions cover a range of topics including writing model equations for a chemical reaction, solving systems of equations using numerical methods like RK4, implicit discretization, and Gauss-Seidel, and analyzing experimental data using linear regression and the Arrhenius equation. Students are asked to find concentrations, temperatures, rate constants, and kinetic parameters based on the provided chemical systems and experimental data.

Uploaded by

Praneeth
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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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***

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