CONTENTS

PROCEDURE............................................................................................................ 1
PROCESS FLOW DIAGRAM(PFD)................................................................................ 2
WORKBOOK............................................................................................................ 3
Streams Summary..................................................................................................... 3
DISCUSSIONS........................................................................................................... 6
Streams Summary (if distillation column change to separator)..............................................8
REFERENCES-with regards to discussions shown..........................................................10

PROCEDURE
1. After selecting the iCon menu, a new case is opened.
2. All the component involved which is methanol and water are selected from the master
component list. The tab is then closed.
3. On the property package window that appeared, all property Package from the
Chemical System Categories is selected.
4. From the object palette, the material stream was selected by clicking to the symbol
as the feed stream (1). Then, the condition of the stream was set by inserting the data
according to the parameter in the worksheet.;

flowrate : 2700kgmol/hr,

pressure : 5.2 bar

temperature : 25 0C.

composition of the mole fraction of methanol and water stream : 0.5

5. A spiltter is chosen from the object palette and connected to the connection. On the
connection page the following setting were applied; inlet: feed 1 (stream 1), outlet:
2(stream 2).
6. A distillation column is added after the outlet connection of the splitter.

The

condenser is set to total condenser.

7. This distillation column is labeled as DC1. A valve is also added before the distillation
column to reduce the pressure. All the information is filled in DC1 according to the
DC2 in the worksheet :
Pressure (bar) : 1.01
Number of trays : 13
Feed Tray* : 9
1

 Reflux ratio : 0.834

Distillate to feed ratio : 0.96
8. Step 6 and 7 is repeated for DC2 and without the valve. All the information is filled in
DC2 according to the DC1 in the worksheet.
Pressure (bar) : 5.2
Number of trays : 16
Feed Tray* : 12
Reflux ratio 1.26
Distillate to feed ratio : 0.96
9. The simulation is run by clicking the Run button and the results are obtained which
will be discussed in discussion section and to answer the question given.

PROCESS FLOW DIAGRAM(PFD)

WORKBOOK
Streams Summary

Name

S1

S2

S3

S4

SP-1.Out1

SP-1.Out0

Vlv-1.Out

Vlv-1.In

DC-1.Feed_11_feed

DC-2.Feed_8_feed

Description
Upstream Op
Downstream Op

SP-1.In

VapFrac

0.00

0.00

0.00

0.00

T [C]

25.0

25.0

25.0

25.1

520.00

520.00

520.00

101.00

P [kPa]
MoleFlow/Composition

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

METHANOL

0.50000

1350.00

0.50000

675.00

0.50000

675.00

0.50000

675.00

WATER

0.50000

1350.00

0.50000

675.00

0.50000

675.00

0.50000

675.00

1.00

2700.00

1.00

1350.00

1.00

1350.00

1.00

1350.00

Total
Mass Flow [kg/h]

67577.14

33788.57

33788.57

33788.57

Volume Flow [m3/h]

78.814

39.407

39.407

39.416

Std Liq Volume Flow [m3/h]

78.706

39.353

39.353

39.353

Std Gas Volume Flow [Sm3/d]

1.5351E+6

7.6757E+5

7.6757E+5

7.6757E+5

Energy [W]

-2.287E+7

-1.144E+7

-1.144E+7

-1.144E+7

H [kJ/kmol]

-30494.8

-30494.8

-30494.8

-30494.8

82.041

82.041

82.041

82.089

25.03

25.03

25.03

25.03

857.4204

857.4204

857.4204

857.2303

Cp [kJ/kmol-K]

85.760

85.760

85.760

85.788

Thermal Conductivity [W/m-K]

0.2886

0.2886

0.2886

0.2885

6.9256E-4

6.9256E-4

6.9256E-4

6.9104E-4

0.029

0.029

0.029

0.029

0.0072

0.0072

0.0072

0.0014

S [kJ/kmol-K]
MW
Mass Density [kg/m3]

Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor
Surface Tension
Speed of Sound

Name

S5

S6

S7

S8

DC-

DC-

DC-

DC-

Description
Upstream Op

2.LiquidDraw_0_condenserL

2.LiquidDraw_12_reboilerL

1.LiquidDraw_15_reboilerL

1.LiquidDraw_0_condenserL

Downstream Op
VapFrac

0.00

0.00

0.00

0.00

T [C]

73.0

99.9

153.1

123.4

101.00

101.00

520.00

520.00

P [kPa]
MoleFlow/Composition

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

METHANOL

0.52083

675.00

0.00001

0.00

0.00005

0.00

0.52083

675.00

WATER

0.47917

621.00

0.99999

54.00

0.99995

54.00

0.47917

621.00

1.00

1296.00

1.00

54.00

1.00

54.00

1.00

1296.00

Total
Mass Flow [kg/h]

32815.74

972.83

972.86

32815.71

Volume Flow [m3/h]

40.193

1.015

1.063

42.830

Std Liq Volume Flow [m3/h]

38.379

0.974

0.974

38.379

Std Gas Volume Flow [Sm3/d]

7.3687E+5

3.0703E+4

3.0703E+4

7.3687E+5

Energy [W]

-9.413E+6

-4.315E+5

-3.684E+5

-7.708E+6

H [kJ/kmol]

-26146.4

-28770.0

-24559.9

-21410.5

95.395

87.885

98.409

108.113

25.32

18.02

18.02

25.32

816.4473

958.8349

915.2577

766.1823

Cp [kJ/kmol-K]

90.111

77.495

81.193

98.478

Thermal Conductivity [W/m-K]

0.2735

0.6777

0.6833

0.2556

3.4651E-4

2.8200E-4

1.7854E-4

2.0677E-4

0.031

0.019

0.020

0.033

0.0013

0.0007

0.0035

0.0062

S [kJ/kmol-K]
MW
Mass Density [kg/m3]

Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor
Surface Tension
Speed of Sound

Manual calculation in distillation column (Methanol)

The molar flowrate before entering
Split ratio = split vent flowrate / column flowrate = 0.5
Thus 2700 kmol x 0.5 = 1350 kmol to each of DC
4

Feed, Xf = 0.5
Product XD = 0.521
Bottom XW = 0.479
Taking basis of 1350 kmol of feed into the DC
F=D+W
1350 = D + W
W = 1350 D

------- 1

BALANCING
FXF = DXD + WXW
1350(0.5) = (0.521)D +( 0.00001)W --------2
FROM THE CALCULATION
D = 1295.58 kmol and W = 54.41 kmol which both satisfy the calculation using iCon
and manual.

Pressure drop in valve

Cv of Methanol = 19.2
Q = 148.76 gal/min at stream 2
Specific gravity of Methanol at 25 C, G = 0.7866
Q = Cv

P
G

P = (Q/Cv) ^2 x G
P = (148.76 /19.2 )^2 x 0.7866
P

= 59.65 psi

411.27 kPa approximately equivalent to pressure drop

calculate in iCon manual.

DISCUSSIONS
Distillation is a separation process that consists of partial evaporation and condensation
(Gorak, 2014) and separating various components of a liquid with respect to distributions
between the liquid phase and vapour phase (Geankoplis, 2014). It is commonly used for liquid
purification as well as separating mixtures into pure components. In this simulation, the
specifications of distillation column and the usage of valves and its effect on the distillation
column is studied.
At first, feed of 2700 kmol/hr containing equimolar mixtures of methanol and water at 5.2
bar and 25 oC are split with a ratio of 0.5 using a splitter. Both streams are then sent through
separate distillation columns with one of the streams pressure reduced to 1.01 bar by using a
valve. For the stream with reduced pressure, the specifications for the distillation column have
been toned down to suit the pressure.
Distillation follows the vapour-liquid equilibrium with strict relations with the phase rule
(Geankoplis, 2014). Phase rule may be shown with the Gibbs expression in the simplest form
(Raj, 2002):
P+F=C+2
Where P = number of phases, F = number of degrees of freedom and C = numbers of
components in a system of equilibrium
The vapour-liquid equilibrium relations for distillation also obeys Raoults law which stated
that the partial pressure of a substance in equilibrium with a solution is equal to its mole
fraction in the solution times the vapour pressure of the pure substance (Reger, 2009) with
formula:
pA=PAxA
However, this law is strictly for ideal solutions which are substances that are similar to each
other in term of molecular properties while other nonideal solutions obey Henrys law in
dilute solutions (Geankoplis, 2014).

In determining the liquid and vapour flow of the

distillation outputs, relative volatility of vapour-liquid systems is highly important as high

relative volatility promotes easier separation (Geankoplis, 2014). Relative volatility can be
calculated by using formula:

AB=

yA /xA
yA / xA
=
yB/ XB (1 yA)/(1xA)

Consider the system obeys Raoults law:

yA=

PAxA
PB x B
, yB=
P
P

Substituting both equation yields:

AB=

PA
PB

And rearranging the Raoults law equation with respect to the above equation:
yA=

xA
1+ ( 1 ) xA

For the calculations of vapour-liquid equilibrium in distillation, almost all equation of state
in mixtures can be used to predict the values for the components. However, it is best to use
advanced Peng-Robinson fluid package as this cubic equation for state of mixtures provide
values that are only 2.5% different compared to the measured values (Senger, 2010).
In answering the questions in the laboratory manual, the molar flow of streams before
entering DC1 and DC2 is the same which is 1350 kmol/hr as the split ratio is 0.5, meaning
equal splitting is achieved. As stated in statements above, the pressure can be reduced by
installing control valves to regulate the pressure for the second stream. The pressure drop is
calculated as 411.27 kPa and it is the same as the simulated data, giving the data high
accuracy. The temperature obtained at the bottom for DC1 and DC2 is 99.9 oC and 123.4 oC
respectively. In the distillation of methanol and water, we can see that the overhead product
have only 52.08% methanol for both distillation column. However, all methanol is extracted
from the methanol-water mixture as the bottom product contain 99.99% water. This mixture
can be further purified if the column can be created with R value, as with higher R value,
higher amount of condensate in recycled back into the column in order to further complete the
methanol-water separation.

The simulation is proceeded by comparing the use of distillation column flash separators.
The same procedure is conducted but the distillation column is replaced with flash separators.
Below is the results obtained by using separators:
Streams Summary (if distillation column change to separator)

Name

S1

S2

S3

S4

SP-1.Out1

SP-1.Out0

Vlv-1.Out

Vlv-1.In

V-2.In

V-1.In

Description
Upstream Op
Downstream Op

SP-1.In

VapFrac

0.00

0.00

0.00

0.00

T [C]

25.0

25.0

25.0

25.1

520.00

520.00

520.00

101.00

P [kPa]
MoleFlow/Composition

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

METHANOL

0.50000

1350.00

0.50000

675.00

0.50000

675.00

0.50000

675.00

WATER

0.50000

1350.00

0.50000

675.00

0.50000

675.00

0.50000

675.00

1.00

2700.00

1.00

1350.00

1.00

1350.00

1.00

1350.00

Total
Mass Flow [kg/h]

67577.14

33788.57

33788.57

33788.57

Volume Flow [m3/h]

78.814

39.407

39.407

39.416

Std Liq Volume Flow [m3/h]

78.706

39.353

39.353

39.353

Std Gas Volume Flow [Sm3/d]

1.5351E+6

7.6757E+5

7.6757E+5

7.6757E+5

Energy [W]

-2.287E+7

-1.144E+7

-1.144E+7

-1.144E+7

H [kJ/kmol]

-30494.8

-30494.8

-30494.8

-30494.8

82.041

82.041

82.041

82.089

25.03

25.03

25.03

25.03

857.4204

857.4204

857.4204

857.2303

Cp [kJ/kmol-K]

85.760

85.760

85.760

85.788

Thermal Conductivity [W/m-K]

0.2886

0.2886

0.2886

0.2885

6.9256E-4

6.9256E-4

6.9256E-4

6.9104E-4

0.029

0.029

0.029

0.029

0.0072

0.0072

0.0072

0.0014

S [kJ/kmol-K]
MW
Mass Density [kg/m3]

Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor
Surface Tension
Speed of Sound

Name

S5

S6

S7

S8

V-1.Vap

V-1.Liq0

V-2.Liq0

V-2.Vap

Description
Upstream Op
Downstream Op
VapFrac

1.00

0.00

0.00

1.00

T [C]

25.1

25.1

25.0

25.0

101.00

101.00

520.00

520.00

P [kPa]
MoleFlow/Composition

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

METHANOL

0.82565

0.00

0.50000

675.00

0.50000

675.00

0.83263

0.00

WATER

0.17435

0.00

0.50000

675.00

0.50000

675.00

0.16737

0.00

Total

1.00

0.00

1.00

1350.00

1.00

1350.00

1.00

0.00

Mass Flow [kg/h]

0.00

33788.57

33788.57

0.00

Volume Flow [m3/h]

0.000

39.416

39.407

0.000

Std Liq Volume Flow [m3/h]

0.000

39.353

39.353

0.000

5.6857E-38

7.6757E+5

7.6757E+5

5.6857E-38

Energy [W]

3.046E-37

-1.144E+7

-1.144E+7

2.829E-37

H [kJ/kmol]

10966.6

-30494.8

-30494.8

10182.8

S [kJ/kmol-K]

199.516

82.089

82.041

184.074

29.60

25.03

25.03

29.69

Mass Density [kg/m3]

1.2364

857.2303

857.4204

7.2856

Cp [kJ/kmol-K]

44.230

85.788

85.760

49.601

Thermal Conductivity [W/m-K]

0.0173

0.2885

0.2886

0.0243

9.5781E-6

6.9104E-4

6.9256E-4

9.5760E-6

Molar Volume [m3/kmol]

23.938

0.029

0.029

4.076

Z Factor

0.9755

0.0014

0.0072

0.8588

Std Gas Volume Flow [Sm3/d]

MW

Viscosity [Pa-s]

Surface Tension
Speed of Sound

In the results obtained above, based on the mole fractions for the overhead and bottom
products between flash separators, separators give a more pure methanol-water mixture with
an amount of 82.56% methanol. However, the simulated data cannot be accepted as only the
mole fractions are calculated and predicted in the simulation but zero vapour mole flow rate.
The data also shows that all flow rate are in the bottom product with the same compositions as

the separator feed. This highlights that for this simulation, flash separators are not practical in
the purification of methanol in the methanol-water mixture for both condition.
REFERENCES-with regards to discussions shown
Geankoplis, C. J. (2014). Transport Process & Separation Process
Principles(includes Unit Operations) fourth edition. Edinburgh: Pearson
Education Limited.
Gorak, A. e. (2014). Distillation: Fundamentals and Principles. Kidlington, Oxford:
Elsevier Inc.
Raj, G. (2002). The Phase Rule. Meerut: GOEL Publishing House.
Reger, D. L. (2009). Practices, Chemistry: Principles and. Belmont: Cengage
Learning Inc.
Senger, J. V. (2010). Applied Thermodynamics of Fluids. RSC Publishing.

10