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Problem Sheet 1: Solution

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Problem Sheet 1: Solution

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Problem Sheet 1

Ques (a) A 100 kmol/h non-ideal equimolar mixture of Acetonitrile and Benzene (Temp = 350 K,
Pressure = 101325 Pa) is flashed at specified Pressure = 101325 Pa and vapor fraction = 0.5. The
default K-value model suggested by the software is NRTL and the default Enthalpy model is LATE
(Latent Heat).

Use the different models such as (A) Ideal vapour phase (Raoult’s law)

(B) UNIQUAC (C) UNIFAC

and compare the results with that of the default (D) NRTL model. Do not change the enthalpy model.

Compare the following values using the four different models: (i) Temp in flash drum (ii) amount of
liquid and vapour (iii) composition of liquid and vapour (in mol frac) (iv) K values for acetonitrile and
benzene (v) enthalpies of feed, vapour and liquid streams

Does the acetonitrile-benzene system form an azeotrope? Plot the TPXY plot using the NRTL model
to determine this. Does the azeotropic point change if the K-value model is changed from NRTL to
UNIFAC?

Solution:-
: (i) NRTL MODEL

S.NO Bottom Stream Top stream


1. Temperature 345.917 K 345.917 K
2. Pressure 101325 Pa 101325 Pa
3. Enthalpy 2.393 MMBTU/h 3.8 MMBTU/H
4. Total Flow 50.0 49.9
5. Acetonitrile 25.866 24.19
6. Benzene 24.193 25.80

(ii) UNIFAC MODEL


S.NO Top Stream Bottom stream
1. Temperature 346.096 K 345.967 K
2. Pressure 101325 Pa 101325 Pa
3. Enthalpy 3.876MMBTu/h 2.39MMBTu/h
4. Total Flow 50.0 49.9
5. Acetonitrile 24.1576 25.84
6. Benzene 25.84266 24.157

(III) UNIQUAC MODEL

S.NO Top Stream Bottom stream


1. Temperature 345.967 K 345.98 K
2. Pressure 101325 Pa 101325
3. Enthalpy 3.8759 2.393
4. Total Flow 50.0 49.9
5. Acetonitrile 24.157 25.84
6. Benzene 25.842 24.157

(iv) ROULT’S LAW MODEL


S.NO Top Stream Bottom stream
1. Temperature 353.96 K 353.96 K
2. Pressure 101325 Pa 101325 Pa
3. Enthalpy 3.902 2.367
4. Total Flow 49.99 50.0
5. Acetonitrile 24.738 25.26
6. Benzene 25.261 24.738

RESULT :
S. MODEL K-Value Of K- Flash Enthalpy
No. Acetonitrile Value of drum (MMBTu/H) Liquid (K mol /h) Vapour(K mol/ h)
Temp vapou liquid Acetoni Benzene Acetoni Benzene
Benzene (K) r
1 NRTL 0.940 345.917 3.8 2.39 25.866 24.193 24.19 25.80
1.064
2 UNIFAC 0.98 346.096 3.87 2.39 25.84 24.15 24.157 25.84
1.021
3 0.938 345.967 3.8 2.39 25.84 24.15 24.15 25.8
UNIQUA 1.066
C
4 ROULT’S 0.978 353.96 3.9 2.36 25.26 24.73 24.73 25.26
LAW 1.022

Ques (b) An equimolar mixture of Benzene and Water (Temp = 375 K, Pressure = 101325
Pa) is flashed at a pressure of 101325 Pa and for vapour fraction = 0.5. Use UNIFAC as K-
value model and LATE as Enthalpy model. Report the details of the product streams after
‘running’ the flash vaporizer.
How many liquid phases exist for this system? What does this indicate?

SOLUTION:-

UNIFAC MODEL :
S.NO Top Stream Bottom stream
1. Temperature 352.96 K 279.94 K
2. Pressure 101325 Pa 101325 Pa
3. Enthalpy 4230 MJ /H -14192MJ/H
4. Total Flow 50.0006K mol/H 49.999Kmol/H
5. Water 0.4836 49.516
6. Benzene 49.516 0.48366
-

RESULTS

S.NO. MODEL K-Value of K-Value of


Benzene Water
1 UNIFAC 102.367 9.766E-.003

One liquid phase exist for this system.

Ques( c ) A 100 kmol mixture of hydrocarbons (ethane = 30 kmol/h, propane = 50


kmol/h, n-butane = 10 kmol/h) and water (10 kmol/h) is flashed at T = 300 K and
P = 690 kPa. Specifying process conditions as: Temperature range (260-360 K) and pressure
range (101325-700000 Pa) in the Thermodynamics Wizard box.
Considering the components and the T and P range, the Wizard selects the Soave-Redlich-
Kwong (SRK) as both the K-value and Enthalpy models. Notice that the
Water/Hydrocarbon Solubility is marked as "Immiscible." As a result, one stream will have
pure water.
Report the results after ‘running’ the flash vaporizer.
Choose Peng-Robinson (PR) instead of SRK as the K-value and Enthalpy model and
report results. Does choosing PR give a different result for the flash calculation? Report the K
values for the different components and observe the huge difference in the values between the
different components

SOLUTION:- SRK MODEL


PR MODEL
RESULTS:-

S.NO. MODEL K-Value K-Value K-Value K-Value


of ethane of of n- of Water
propane butane
1 SRK 1450.535 453.206 141.692 5.207E-
003
2 PR 1455.095 449.682 143.348 5.207E-
003

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