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2/3/23, 1:34 AM Exercise

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Question 1
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2/3/23, 1:34 AM Exercise
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An isothermal gas-phase decomposition reaction is given by Eq. 1:

A → B → C

The reaction is set at 300 °F and 10 atm. The reaction takes place in a 2-m plug flow reactor (PFR) that initially has A and B at 5 and 2
kmol/m3, respectively.

The following table lists the concentrations of the intermediate product (B) throughout the decomposition reaction along the PFR.

Note: A plug flow reactor (PFR) is sometimes called a continuous tubular reactor (CTR).

Question 2
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Develop a best-fit equation for the concentration of B along the 2-m PFR. Employ the Naïve–Gauss elimination method whenever needed.

Note: Use 4 decimal places in every calculation step.

CB =
2.2907

+
3.5933

z+
-2.3360

z2

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Question 3
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Determine the coefficient of determination for the equation.

Note: Use 4 decimal places in every calculation step.

R2 =
0.9558

Question 4
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Calculate the concentration of B to the most accurate value at 1.5 m.


Note: Use 4 decimal places in every calculation step.

CB =
2.4247

kmol/m3

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Determine the location in the PFR where the concentration of B equals its initial concentration. In any relevant method, use a stopping
criterion of 1%.
Note: Use 4 decimal places in every calculation step.

z=

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Compute the maximum concentration of B and its respective location in the PFR. In any relevant method, use a stopping criterion of 1%.
Note: Use 4 decimal places in every calculation step.

CBmax =

kmol/m3

zmax =

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2/3/23, 1:34 AM Exercise

Question 7
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Determine the true percentage of relative error between the highest experimental concentration and the calculated maximum
concentration.

Note: Use 4 decimal places in every calculation step.

εt =
107.2839

Question 8
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A Levenspiel plot (− 1

rB
vsX) is a plot used in chemical reaction engineering to determine the required volume of a chemical reactor, given
the experimental data on the chemical reaction taking place in it.
Based on the following table, use any appropriate integration method to determine the most accurate volume of the PFR needed to
achieve the conversion of 0.8. The entering molar flow rate of B (FB0) at 0.867 mol/s.

Note: Use 4 decimal places in every calculation step.

VPFR@X=0.8 =

m3

Note: V
X F B0
PFR
= ∫ dX
0 −rB

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The same reaction is performed in an isothermal batch mode reactor. Since the process is in the gas phase, it is a must to monitor the
pressure profile during the reaction. The design equation is explained in the following equation:

dP ′ α
= k (3P 0 − P )
dt

Using Euler’s and Runge–Kutta Fourth Order methods, complete the following table and plot the pressure–time data in the range of 0–20
min on the same graph paper. Set the step size to 5 min. Before the reaction begins, the pressure inside the reactor is 7.5 mm Hg. Based on
previous experiments, the reaction kinetics parameter k′ is 0.08 min−1 and the α value is 1.

Note: Use 4 decimal places in every calculation step.

Euler RK4th
Time (min) Pressure (mm Hg) Pressure (mm Hg)
0 7.5 7.5

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