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Assessment 1 Solution

This document provides the step-by-step work to solve a reaction kinetics problem using concentration-time data and linear regression. The key steps are: 1) Use POLYMATH to fit a polynomial curve to the concentration-time data to obtain an expression for concentration (CA) as a function of time. 2) Take the derivative of this expression to obtain the reaction rate as a function of time and concentration. 3) Populate a table with the experimental data, calculated reaction rates, and natural logarithms of terms for linear regression. 4) Use the linear regression data to determine the rate constants by applying the least squares technique shown in the example from class notes.

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77 views3 pages

Assessment 1 Solution

This document provides the step-by-step work to solve a reaction kinetics problem using concentration-time data and linear regression. The key steps are: 1) Use POLYMATH to fit a polynomial curve to the concentration-time data to obtain an expression for concentration (CA) as a function of time. 2) Take the derivative of this expression to obtain the reaction rate as a function of time and concentration. 3) Populate a table with the experimental data, calculated reaction rates, and natural logarithms of terms for linear regression. 4) Use the linear regression data to determine the rate constants by applying the least squares technique shown in the example from class notes.

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© © All Rights Reserved
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Assessment 1 Solution:

Question 1:

We are given the following data:

We are given CA (t) vs t data:


As in the notes we linearise the data:

æ dC A ö
lnç - ÷ = n ln C A + ln k
è dt ø
Y =a X + b
And as in the notes, you are expected to set up the following table:
t CA dC A æ dC A ö ln CA
- lnç - ÷
dt è dt ø
0 CA0

dC A
To get - we first need to get CA(t), ie express the data as a polynomial of t. We
dt
use POLYMATH to get this expression:
Model: Ca = a0 + a1*t + a2*t^2 + a3*t^3 + a4*t^4

Variable Value 95% confidence


a0 10.05473 0.7288138
a1 -0.1280379 0.0486806
a2 0.0008911 0.0009079
a3 -3.122E-06 5.6E-06
a4 4.131E-09

\ Equation is:
CA(t) = 10.06 – 0.13 t + 0.0009 t2 – 3.12x10-6 t3 + 4.13 x10-9 t4
dC A
\ - = -0.13 +0.0018 t – 9.36 x 10-6 t2 + 1.65 x 10-8 t3
dt
To get the remaining values for the table we use EXCEL:
t CA dC A æ dC A ö ln CA
- lnç - ÷
dt è dt ø
0 10 0.13 -2.04 2.30
20 8 0.10 -2.32 2.08
40 6 0.07 -2.60 1.79
60 5 0.06 -2.83 1.61
120 3 0.08 -2.56 1.10
180 2 0.21 -1.58 0.69
300 1 0.88 -0.13 0.00

æ dC A ö
Plot lnç - ÷ vs ln CA to get slope and intercept and hence n and k.
è dt ø
Least squares Technique:

k 1C A
- rA =
1 + k 2C A

- rA k1C A
=
CA 1 + k 2C A

CA 1 + k 2C A
\ =
- rA k1C A

CA 1 k
\ = + 2
- rA k1C A k1

CA k 1 1
= 2 +
- rA k1 k1 C A
Yj = a0 + a1 X1j + a 2 X 2j

We have two unknowns, k1 and k2. Use least squares technique identical to solved
dC A
example 1 in notes to solve for k1 and k2. Remember –rA = - and this data is
dt
obtained in the question 1.

Remember:
1) Polymath and Excel are tools to help you solve problems. When you set out the
solution it should be as if you are writing out the solution by hand and using your
calculator! In your written solution refer to tables and graphs. The tables and
graphs you will hand in on your flash drives. You may also email me your tables
and graphs.
2) Remember that in this test you were given C vs t data. You will NOT be given C
vs t data in the FISA!!! You will be asked V vs t problem OR P vs t AND then
Least squares technique. The equations for least squares technique will be given
to you.
3) You will need to know all equations relating to RTD problems.
4) For multiple reactions, follow the example given in notes. For more examples
look at text book and then at the Michigan Website. You will have to know some
theory in this section – how to apply to Batch or CSTR reactor.

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