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Chemical Engineering Department First midterm exam Reactor Design

Q1: a: A 200 dm3 constant volume batch reactor is pressurized to 20 atm with a mixture of

75% A and 25% inert. The gas phase reaction is carried out isothermally at 227°C.

i. How many moles of A are in the reactor initially? What is the initial concentration of A?

ii. If the reaction is bimolecular, single reactant and elementary, k = 0.7 (units are missing)

Calculate the time to consume 80% of A.

iii. If the reaction is unimolecular, single reactant and elementary, k = 0.1 (units are missing)

Calculate the time necessary to consume 99% of A.

yA0 = 0.75, V= 200 dm3, P= 20 atm, T= 227 °C

𝑃𝑉 (20)(200 𝐿)

i. PV=nRT, 𝑛𝐴0 = 𝑦𝐴0 = (0.75) = 72.6 𝑚𝑜𝑙

𝑅𝑇 0.0826 (500)

𝑑𝐶𝐴

ii.Bimolecular, − =-rA= kCA2

𝑑𝑡

𝑥

𝑑𝑥

𝑡 = 𝐶𝐴0 ∫

0 −𝑟𝐴

1−𝑥

−𝑟𝐴 = 𝑘𝐶𝐴2 , 𝐶𝐴 = 𝐶𝐴0 , ɛ= yA0δ , δ= ½ - 1= -0.5, yA0= 1

1+𝜀𝑥

1−𝑥 1−𝑥

𝐶𝐴 = 𝐶𝐴0 = 0.363

1 + 𝜀𝑥 1 − 0.5𝑥

𝑥

𝑑𝑥

𝑡 = 𝐶𝐴0 ∫

0 1−𝑥 2

0.7 (0.363 )

1 − 0.5𝑥

1 𝑥

𝑑𝑥 0.8

1 − 0.5𝑥 2

𝑡= ∫ = 3.93 ∫ ( ) . 𝑑𝑥 = 7.86 𝑠𝑒𝑐

(0.7)(0.363) 0 1−𝑥 2 0 1−𝑥

( )

1 − 0.5𝑥

1−𝑥

𝑖𝑖𝑖. 𝑢𝑛𝑖𝑚𝑜𝑙𝑒𝑐𝑢𝑙𝑎𝑟, −𝑟𝐴 = 𝑘𝐶𝐴 , 𝐶𝐴 = 𝐶𝐴0 , ɛ= yA0δ, δ= 1 - 1= 0, yA0= 1

1+𝜀𝑥

𝑥 0.99

1 𝑑𝑥 𝑑𝑥

𝑡= ∫ = 27.54 ∫ = 126.6 𝑠𝑒𝑐

(0.1)(0.363) 0 1 − 𝑥 0 1−𝑥

𝐶𝐴 0.363(1 − 0.99)

−𝑙𝑛 = 𝑘𝑡, −𝑙𝑛 = 0.1 × 𝑡

𝐶𝐴0 0.363

Q1.b. A rocket engine burns a stochiometric mixture of fuel (liquid hydrogen) in oxidant (liquid oxygen).

The combustion chamber is cylindrical, 75 cm long, and 60 cm in diameter, and the combustion process

produces 108 kg/s of exhaust gases. If combustion is complete, find the rate of reaction with respect to

hydrogen and oxygen.

1 𝑑𝑁𝐻2 1 𝑑𝑁𝑂2

−𝑟𝐻2 = =

𝑉 𝑑𝑡 𝑉 𝑑𝑡

𝜋 2

𝑉= 0.6 (0.75) = 0.211 𝑚3

4

1

𝐻2 + 𝑂2 → 𝐻2 𝑂

2

2 16 18

H2 used= 6 kmol/s

O2 used= 3 kmol/s

1 6 𝑘𝑚𝑜𝑙 𝑘𝑚𝑜𝑙

−𝑟𝐻2 = = 28.43 3 . 𝑠𝑒𝑐

0.211𝑚3 𝑠𝑒𝑐 𝑚

1 3 𝑘𝑚𝑜𝑙 𝑘𝑚𝑜𝑙

−𝑟𝑂2 = 3

= 14.15 3 . 𝑠𝑒𝑐

0.211𝑚 𝑠𝑒𝑐 𝑚

The gas feed consists of 25% toluene and 75% ethylene. Write the rate of reaction solely as a function

of conversion. Assume the reaction is elementary with kT=250(dm6/mol2s). The entering pressure is 8.2

atm and the entering temperature is 227°C and the reaction takes place isothermally with no pressure

drop.

Q1.b. (10 points):

1) Patients diagnosed with depression have a decreased concentration of serotonin in their brain. To help

increase this concentration, doctors administer Selective Serotonin Reuptake Inhibitors (SSRIs) to the

patients. Normal levels of serotonin in a healthy individual range from 101-283 ng/ml. Serotonin is

metabolized by the body at a specific rate of 9.63 x 10-6 s-1. Assume that when the SSRI is administered,

the serotonin concentration increases to 175.0 ng/ml. How long will it take for the serotonin

concentration to fall below 100.0 ng/ml?

Q2. b.

2) Rate law: r=k[NO2]2

Overall reaction: NO2(g) + CO(g) →NO(g) + CO2(g). Suggest a mechanism consistent with the

rate law.

NO2+ NO2→N+NO3 Slow

NO3+CO→NO2+CO2 Fast

Q3: a. Suppose the following data were obtained for the homogeneous gas-phase reaction 2A + 2B →C +

2D carried out in a rigid 2-L vessel at 800°C and the stochiometric quantities.

kPa.min-1

46 0.261 -0.8

70 0.514 -7.2

80 0.150 -1.6

Assuming that at time zero no C or D is present, obtain the rate law for this reaction, stating the value and units

of the rate constant in terms of L, mol, s.

In terms of A and initial rates and conditions, and an assumed form of the rate law, we write

𝑃 = 𝐶𝑅𝑇

𝑑𝐶𝐴 1 𝑑𝑃𝐴 𝑘 𝛽

-rA= − =− = ((𝑅𝑇)𝐴𝛼+𝛽) 𝑃𝐴𝛼 𝑃𝐵

𝑑𝑡 𝑅𝑇 𝑑𝑡

𝑑𝑃𝐴 𝑘𝐴 𝛽

− =( −1+𝛼+𝛽

) 𝑃𝐴𝛼 𝑃𝐵

𝑑𝑡 (𝑅𝑇)

𝑑𝑃𝐴 𝛽

−𝑟𝐴𝑝 = − = 𝑘𝐴𝑃 𝑃𝐴𝛼 𝑃𝐵

𝑑𝑡

𝐴 𝑘

Where; kAP= ((𝑅𝑇)−1+𝛼+𝛽 )

𝑑𝑃𝐴

Values of are calculated from (dP/dt)0 data as at any instant;

𝑑𝑡

( ) = ( ) = ( ) = ( )

𝑑𝑡 0 𝑉 𝑑𝑡 0 2𝑉 𝑑𝑡 0 2 𝑑𝑡 0

Values of PA0 and PB0 can be calculated from the given values of PT and yA.

( )

𝑑𝑡 0

0.261 12 34 -1.6

0.514 36 34 -14.4

0.150 12 68 -3.2

Use initial rate method, experiments 1 and 2;

𝛼 𝛽

𝑟𝐴𝑃2 𝑘 (𝑃𝐴 𝑃𝐵 )2

=

𝑟𝐴𝑃1 𝑘 (𝑃𝛼 𝑃𝛽 )

𝐴 𝐵

1

𝛼

14.4 36

=( )

1.6 12

9 = 3α, α =2

Use initial rate method, experiments 1 and 3;

𝛼 𝛽

𝑟𝐴𝑃3 𝑘 (𝑃𝐴 𝑃𝐵 )3

=

𝑟𝐴𝑃1 𝑘 (𝑃𝛼 𝑃𝛽 )

𝐴 𝐵

1

𝛽

3.2 68

=( )

1.6 34

2 = 2β, β =1

The overall order, is therefore 3. Substitution of these results into rate equation for any one of the

three experiments gives;

kAP = 3.27 × 10-4 kPa-2. min-1

From equation

kA = (RT)2kAP = (8.314 L.kPa/K.mol)2(3.27 × 10-4) = 2.26×10-2 L.K.min-1/mol2

Q3:b:

The reaction of triphenyl methyl chloride (trityl) (A) and methanol (B);

was carried out in a solution of benzene and pyridine at 25 °C. Pyridine reacts with HCl that then

precipitates as pyridine hydrochloride thereby making the reaction irreversible. The concentration

– time data was obtained in a batch reactor:

The initial concentration of methanol was 0.5 mol dm3. Determine the reaction order with respect

to triphenyl methyl chloride.

Thus, the reaction is second order w.r.t to triphenyl methyl chloride.

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