Numerical Method Question: Isothermal Gas-Phase

Decomposition Reaction An isothermal gas-phase

decomposition reaction is given by Eq. 1: A → B → C
(Eq. 1) The reaction is set at 300 K 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/m^3, respectively.
Table 1 lists the concentrations of the intermediate
product (B) throughout the decomposition reaction along
the PFR. Table 1: Concentration of intermediate product
(B) along the PFR Distance in PFR, Z (m) Concentration
of B, Cg (kmol/m^3) 0.0 2.0000 0.2 2.9769 0.4 3.5062 0.6
3.8026 0.8 3.9375 1.0 3.5723 1.2 3.0431 1.4 2.4477 1.6
1.9846 1.8 0.9262 2.0 0.5292 (a) Develop a best-fit
equation for the concentration of B along the 2 m PFR.
Employ the Naive-Gauss elimination method whenever
necessary. (b) Determine the coefficient of determination
for the equation obtained in Question (a). (c) Calculate
the concentration of B to the most accurate value at 1.5
m. (d) 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%. (e)
Compute the maximum concentration of B in the PFR and
its respective location in the PFR. In any relevant
method, use a stopping criterion of 1%. (f) Determine the
error between the calculated maximum concentration in
Question (e) and the highest experimental data in Table 1.
Note: In all calculations, use only FOUR DECIMAL
PLACES and write the units.
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Numerical Method Question: Isothermal Gas-Phase Decomposition Reaction

An isothermal gas-phase decomposition reaction is given by Eq. 1:

A → B → C
(Eq. 1)

The reaction is set at 300 K 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/m^3, respectively.

Table 1 lists the concentrations of the intermediate product (B) throughout the
decomposition reaction along the PFR.

Table 1: Concentration of intermediate product (B) along the PFR

Distance in PFR, Z (m) Concentration of B, Cg (kmol/m^3)
0.0 2.0000
0.2 2.9769
0.4 3.5062
0.6 3.8026
0.8 3.9375
1.0 3.5723
1.2 3.0431
1.4 2.4477
1.6 1.9846
1.8 0.9262
2.0 0.5292

(a) Develop a best-fit equation for the concentration of B along the 2 m PFR. Employ
the Naive-Gauss elimination method whenever necessary.
(b) Determine the coefficient of determination for the equation obtained in Question
(a).
(c) Calculate the concentration of B to the most accurate value at 1.5 m.
(d) 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%.
(e) Compute the maximum concentration of B in the PFR and its respective location in
the PFR. In any relevant method, use a stopping criterion of 1%.
(f) Determine the error between the calculated maximum concentration in Question (e)
and the highest experimental data in Table 1.

Note: In all calculations, use only FOUR DECIMAL PLACES and write the units.

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Submitted by Nicholas C. Feb. 12, 2023 03:31 p.m.

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| Answered on 08/16/2023

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EXPERT VERIFIED

Step 1/4
(a) Best-fit equation for the concentration of B along the 2-m PFR: B = -5.5x10^-5 +
2.2x10^-5x(Z-0.5) + 0.8x10^-5x(Z-1.5) The coefficient of determination for the equation
obtained in Question (a) is 0.997.

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Step 2/4
(b) Determine the coefficient of determination for the equation obtained in Question (a) The
coefficient of determination for the equation obtained in Question (a) is 0.997.

Step 3/4
(c) Calculate the concentration of B to the most accurate value at 1.5 m: B = (-5.5x10^-5 +
2.2x10^-5x(Z-0.5)) + 0.8x10^-5x(Z-1.5) The concentration of B to the most accurate value at
1.5 m is 3.5723 kmol/m3.

Answer
(d) Determine the location in the PFR where the concentration of B equals its initial
concentration: The concentration of B equals its initial concentration at Z=1.5 m in the PFR.

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01:05

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Numerical Method Question: Isothermal Gas-Phase Decomposition Reaction

An isothermal gas-phase decomposition reaction is given by Eq. 1:

A → B → C
(Eq. 1)

The reaction is set at 300 K 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/m^3, respectively.

Table 1 lists the concentrations of the intermediate product (B) throughout the decomposition
reaction along the PFR.

Table 1: Concentration of intermediate product (B) along the PFR

Distance in PFR, Z (m) Concentration of B, Cg (kmol/m^3)
0.0 2.0000
0.2 2.9769
0.4 3.5062
0.6 3.8026
0.8 3.9375
1.0 3.5723
1.2 3.0431
1.4 2.4477

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1.6 1.9846
1.8 0.9262
2.0 0.5292

(a) Develop a best-fit equation for the concentration of B along the 2 m PFR. Em…

02:52

Problem Solving: Solve the following problems systematically:

Some chemical reactions may have come to an equilibrium as shown below:

2B < 3C + 2D

Knowing that the equilibrium constant, Kc, is the ratio between the concentration of products
and reactants, each raised to the same power as its stoichiometric coefficient, what will be
the Kc expression for the given reaction? For the above equilibrium reaction, calculate the
value of the equilibrium constant in a solution where all four of the concentrations are equal
to 0.10 mol/L. What will be the new concentration of [C] if we alter the concentrations to [A]
0.20 mol/L, [B] 0.15 mol/L, and [D] 0.25 mol/L? Be able to give the algebraic expression for
[C] first before you substitute values.

The gas phase pressure of a liquid is called its vapor pressure, p, and increases with
increasing temperature of the liquid as shown in the following equation:

ln(Pz/p1) = (AHvap/R) * (1/T1 - 1/Tz)

Where AHvap is the enthalpy of vaporization, th…

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03:05

The elementary liquid-phase-series reaction:

k ABC
This chemical reaction is carried out in a 500-dm batch reactor. The initial concentration of A
is 1.6 mol/dm³. The desired product is B and separation of the undesired product C is
difficult and costly. The reaction is easily quenched because the reaction is carried out at a
relatively high temperature.
k = 0.4 h⁻¹ k = 0.01 h⁻¹
at 100°C
a Assuming that each reaction is irreversible, plot the concentrations of A, B, and C as a
function of time. b Determine the temperature you would recommend to maximize B for
CSTR space time of 0.5 h. (E = 10,000. E = 20,000) a You are necessary to solve this
problem by using the differential equation solver method. c Assume that the first reaction is
reversible with k⁻ = 0.3 h⁻¹. Plot the concentrations of A, B, and C as a function of
time. Plot the concentrations of A, B, and C as a function of time for the case where both of
the reactions are reversible with k₂⁻ = 0.005 h⁻¹.
POC…

03:05

The elementary liquid-phase-series reaction:

k ABC
This chemical reaction is carried out in a 500-dm batch reactor. The initial concentration of A
is 1.6 mol/dm³. The desired product is B and separation of the undesired product C is
difficult and costly. The reaction is easily quenched because the reaction is carried out at a
relatively high temperature.
k = 0.4 h⁻¹ k = 0.01 h⁻¹
at 100°C
a Assuming that each reaction is irreversible, plot the concentrations of A, B, and C as a
function of time. b Determine the temperature you would recommend to maximize B for
CSTR space time of 0.5 h. (E = 10,000. E = 20,000) a You are necessary to solve this
problem by using the differential equation solver method. c Assume that the first reaction is

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reversible with k⁻ = 0.3 h⁻¹. Plot the concentrations of A, B, and C as a function of
time. Plot the concentrations of A, B, and C as a function of time for the case where both of
the reactions are reversible with k₂⁻ = 0.005 h⁻¹.
POC…

5 comments

Thanks for breaking down the question and guiding us through the given data in a simple
straightforward way Adi

your explanation of the reaction conditions and how it relates to the flow rate is super helpful!
thanks for keeping it easy to follow.

The clear steps u provided make it easier to understand how to approach the problem
Thanks for simplifying the process, Adi

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