UNIVERSITI TEKNOLOGI MARA

FAKULTI KEJURUTERAAN KIMIA

PROCESS SIMULATION LABORATORY
(CPE613)

NAME
EXPERIMENT
DATE PERFORMED
SEMESTER
PROGRAM
SUBMIT TO

No.
1
2
3
4

: AINI SOFIA BINTI MD ISA (2013216222)

FIERA NADILAH BINTI SUHAIMI (2013236696)
NURUL SHAZANA BINTI MOHD ZAIN (2013646736)
: AN ARCYCLIC PROCESS
:
:5
: EH 221 5A
: DR. RAHIDA WATI

Title
Procedure
Process Flow Diagram (PFD)
Workbook
Questions & Discussions
TOTAL MARKS

Allocated Marks (%)

Marks

10
20
30
40
100

Remarks:

Checked by:

Rechecked by:

------------------------------(
)
Date:

---------------------------------(
)
Date:

TABLE OF CONTENT

PAGE

1. PROCEDURE

2. PROCESS FLOW DIAGRAM

3. WORKBOOK / STREAM SUMMARY

2-8

10-12

4. QUESTIONS AND ANSWERS

13

5. DISCUSSION

14

6. CONCLUSION

14

1. PROCEDURE
1. Firstly, a new icon project is started.
2. Then, the Advanced Peng Robinson for thermodynamic model is selected.

3. The component was selected which are n-Heptane, Hydrogen and Toluene.

4. The simulation is started, where a material stream feed of n-heptane is

created by going to the main flow sheet and Add Material Stream selected
through the Simulation Tree all shown in figure below.

5. The material feed stream known as stream 1 is composed with n-heptane of

flowrate 100 lbmol/hr at 650F and 101.325kPa.
6. Stream 1 then is connected to the heater E-1 to increase temperature from 65
0F to 800 0F.

7. Outlet stream is created after the reaction occurred in E-1.The outlet stream is
renamed as S2. The stream data can be seen as figure below.
8. The outlet product from S2 undergoes further reaction in the component
catalytic reactor in order to convert the reaction. The equipment named as R1.

9. In catalytic reactor R-1,it is desired to convert 15 mol% of n-heptane to

toluene. The figure below shows 15% of conversion is added.

10. Outlet stream is created after the reaction occured in R-1. The outlet stream is
renamed as S3.The stream data can be seen as figure below.

11. The outlet stream of S3 is connected to cooler C-1 to cool the mixture to
650F.

12. The outlet stream 4 S4 is created after the reaction in C-1.

13. The outlet stream of S4 is connected to flash separator V-1 to separate the
mixture.

14. Outlet stream is created after the reaction occurred in V-1.The outlet stream is
renamed as S5 and S6.The stream data can be seen as figure below.

2. PROCESS FLOW DIAGRAM

Figure 1: ARCYCLIC PROCESS SIMULATION

3. WORKBOOK / STREAM SUMMARY

TABLE 1: ADVANCED PENG-ROBINSON SUMMARY TABLE

Name

FEED

LIQUID_OUT

S2

S3

S4

VAPOR_OUT

V-1.Liq0

E-1.Out

R-2.Out

E-2.Out

V-1.Vap

R-2.In

E-2.In

V-1.In

Description
Upstream Op
Downstream Op

E-1.In

VapFrac

0.00

T [C]
P [kPa]
MoleFlow/Composition

0.00

1.00

1.00

18.3

18.3

426.7

426.7

18.3

18.3

101.325

101.325

101.325

101.325

101.325

Fraction

kmol/h

Fraction

kmol/h

Fraction

kmol/h

1.0000

45.36

0.8488

37.48

1.0000

45.36

HYDROGEN

0.0000

0.00

0.00052

0.02

0.0000

TOLUENE

0.0000

0.00

0.15068

6.65

0.0000

1.00

45.36

1.00

44.16

1.00

Mass Flow [kg/h]

1.00

101.32466

n-HEPTANE

Total

0.39156

Fraction

kmol/h

0.53125

38.56

0.00

0.3750

0.00

0.09375

45.36

1.00

Fraction

kmol/h

Fraction

0.53125

38.56

0.0378

1.07

27.22

0.3750

27.22

0.95691

27.19

6.80

0.09375

6.80

0.00529

0.15

72.57

1.00

72.57

1.00

28.42

4545.08

4368.79

4545.08

4545.08

4545.08

176.29

Volume Flow [m3/h]

6.607

6.165

2589.197

4159.447

685.980

679.815

Std Liq Volume Flow [m3/h]

6.592

8.021
4.1264E+
4

8.021
4.1264E+
4

1.871
1.6157E+
4

Std Gas Volume Flow [Sm3/d]

2.579E+4

6.150
2.5107E+
4

Energy [W]

-9.779E+4

-1.247E+5

6.592
2.579E+
4
1.627E+
6

1.686E+6

-5.528E+4

6.946E+4

H [kJ/kmol]

-7761.0

-10168.9

129119.1

83641.4

-2742.0

8798.9

S [kJ/kmol-K]

197.474

156.879

502.459

353.165

156.153

155.023

100.20

98.94

100.20

62.63

62.63

6.20

687.8749

708.6145

1.7554

1.0927

6.6257

0.2593

214.775

204.155

315.982

199.144

137.667

34.350

0.1270

0.1281

0.0929

0.1285

0.1381

4.1913E-4

4.4047E-4

0.0615
1.3394E5

1.4702E-5

1.4343E-4

8.7405E-6

0.146

0.140

57.082

57.313

9.452

23.923

0.0062

0.0059

0.9945

0.9983

0.3952

1.0001

MW
Mass Density [kg/m3]
Cp [kJ/kmol-K]
Thermal Conductivity [W/m-K]
Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor

kmol/h

Surface Tension
Speed of Sound

10

TABLE 2: WILSON SUMMARY TABLE

Name

FEED

LIQUID_OUT

S2

S3

S4

V-1.Liq0

E-1.Out

R-2.Out

E-2.Out

VAPOR_

Description
Upstream Op
Downstream Op

E-1.In

VapFrac

0.00

0.00

1.00

1.00

0.39021

1.00

T [C]

18.3

18.3

426.7

426.7

18.3

18.3

101.32466

101.325

101.325

101.325

101.325

101.325

P [kPa]
MoleFlow/Composition

Fraction

R-2.In

kmol/h

Fraction

kmol/h

Fraction

E-2.In

V-1.Va

kmol/h

Fraction

V-1.In

kmol/h

Fraction

kmol/h

Fraction

n-HEPTANE

1.0000

45.36

0.84824

37.54

1.0000

45.36

0.53125

38.56

0.53125

38.56

0.0359

HYDROGEN

0.0000

0.00

0.00159

0.07

0.0000

0.00

0.3750

27.22

0.3750

27.22

0.95853

TOLUENE

0.0000

0.00

0.15018

6.65

0.0000

0.00

0.09375

6.80

0.09375

6.80

0.00557

1.00

45.36

1.00

44.26

1.00

45.36

1.00

72.57

1.00

72.57

Total
Mass Flow [kg/h]

1.00

4545.08

4373.97

4545.08

4545.08

4545.08

171.12

Volume Flow [m3/h]

6.613

6.180

2604.737

4167.581

683.527

677.346

Std Liq Volume Flow [m3/h]

6.592

8.021
4.1264E+
4

8.021
4.1264E+
4

1.861
1.6102E+
4

1.687E+6

-5.708E+4

6.894E+4

Std Gas Volume Flow [Sm3/d]

2.579E+4

6.161
2.5162E+
4

Energy [W]

-9.658E+4

-1.260E+5

6.592
2.579E+
4
1.629E+
6

H [kJ/kmol]

-7665.5

-10251.3

129248.7

83689.9

-2831.5

8763.3

S [kJ/kmol-K]

171.697

130.382

502.598

353.220

139.859

154.670

100.20

98.84

100.20

62.63

62.63

6.04

687.3041

707.7373

1.7449

1.0906

6.6495

0.2526

222.963

212.049

315.621

199.004

142.608

34.092

0.1270

0.1281

0.0929

0.1285

0.1391

4.1913E-4

4.3820E-4

0.0615
1.3394E5

1.4702E-5

1.4351E-4

8.7543E-6

0.146

0.140

57.425

57.425

9.418

23.918

0.0061

0.0058

1.0000

1.0000

0.3938

1.0000

MW
Mass Density [kg/m3]
Cp [kJ/kmol-K]
Thermal Conductivity [W/m-K]
Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor
Surface Tension
Speed of Sound

11

TABLE 3: UNIQUAC SUMMARY TABLE

Name

FEED

LIQUID_OUT

S2

S3

S4

VAPOR_OUT

V-1.Liq0

E-1.Out

R-2.Out

E-2.Out

V-1.Vap

Description
Upstream Op
Downstream Op

E-1.In

VapFrac

0.00

0.00

1.00

1.00

0.39012

1.00

T [C]

18.3

18.3

426.7

426.7

18.3

18.3

101.32466

101.325

101.325

101.325

101.325

101.325

P [kPa]
MoleFlow/Composition

Fraction

R-2.In

kmol/h

Fraction

kmol/h

Fraction

E-2.In

kmol/h

Fraction

V-1.In

kmol/h

Fraction

kmol/h

Fraction

kmol/h

n-HEPTANE

1.0000

45.36

0.84815

37.54

1.0000

45.36

0.53125

38.56

0.53125

38.56

0.03584

1.01

HYDROGEN

0.0000

0.00

0.00159

0.07

0.0000

0.00

0.3750

27.22

0.3750

27.22

0.95876

27.15

TOLUENE

0.0000

0.00

0.15027

6.65

0.0000

0.00

0.09375

6.80

0.09375

6.80

0.0054

0.15

1.00

45.36

1.0000

44.26

1.00

45.36

1.00

72.57

1.00

72.57

1.00

28.31

Total
Mass Flow [kg/h]

4545.08

4374.60

4545.08

4545.08

4545.08

170.48

Volume Flow [m3/h]

6.613

6.181

2604.737

4167.581

683.366

677.185

Std Liq Volume Flow [m3/h]

6.592

8.021
4.1264E+
4

8.021
4.1264E+
4

1.860
1.6098E+
4

1.687E+6

-5.715E+4

6.891E+4

Std Gas Volume Flow [Sm3/d]

2.579E+4

6.161
2.5166E+
4

Energy [W]

-9.658E+4

-1.261E+5

6.592
2.579E+
4
1.629E+
6

H [kJ/kmol]

-7665.5

-10252.8

129248.7

83689.9

-2835.0

8761.4

S [kJ/kmol-K]

171.697

130.356

502.598

353.220

139.845

154.679

100.20

98.83

100.20

62.63

62.63

6.02

687.3041

707.7501

1.7449

1.0906

6.6510

0.2518

222.963

212.042

315.621

199.004

142.612

34.072

0.1270

0.1281

0.0929

0.1285

0.1393

4.1913E-4

4.3821E-4

0.0615
1.3394E5

1.4702E-5

1.4355E-4

8.7534E-6

0.146

0.140

57.425

57.425

9.416

23.918

0.0061

0.0058

1.0000

1.0000

0.3937

1.0000

MW
Mass Density [kg/m3]
Cp [kJ/kmol-K]
Thermal Conductivity [W/m-K]
Viscosity [Pa-s]
Molar Volume [m3/kmol]
Z Factor
Surface Tension
Speed of Sound

12

4. QUESTIONS AND ANSWERS

1. What is the phase of n-heptane at the inlet and outlet of the heater?
Phase of n-heptane at the inlet is in liquid phase, and of n-heptane at the inlet is at
gas phase.
2. What is the mole fraction for each component after conversion of 15% of nheptane?
The mole fraction for n-heptane is 0.53125, toluene is 0.09375 and hydrogen is
0.3750 after conversion of 15% of n-heptane.
3. What is the phase and temperature of the separator feed stream?
The phase of the separator feed stream is liquid stream and its temperature at
18.30C.
4. Determine the mole fraction for each component at the outlet of the separator?
Mole fraction for top product separator (gas phase)
n-heptane = 0.0378
toluene

= 0.00529

hydrogen

= 0.95691

Mole fraction for bottom product separator (liquid phase)

n-heptane = 0.8488
toluene

= 0.15068

hydrogen

= 0.00052

13

5. DISCUSSIONS
In this experiment, toluene was produced from n-heptane by dehydrogenation.
The objective of this experiment is to install and converged a conversion reactor as
well as this experiment is to simulate a process involving reaction and separation. A
stimulation of acrylic process was carried out using iCON stimulation software.
The thermodynamic models used are Advanced Peng-Robinson, Wilson and
UNIQUAC models. This different type of model are used for understanding of the
effects of odels calculation and the output details of the product. The thermodynamic
models were also known as the equation of state that describe the state of matter
under a certain set of physical conditions.
The equation are constitutive that provides a mathematical relationship between
two or more state function that associated with the matter such as temperature,
pressure, volume and internal energy. The inlet stream was n-heptane which
undergoes varies process to produce toluene. After the separation process, there
was no component of n-heptane.
From this experiment, we can also determine the conversion values by varies the
temperature inlet of the separator. Therefore, to achieved the 96% conversion after
the separation process, the temperature outlet from condenser will be varies. Thus,
we can conclude that as the temperature of the system decreased, the conversion
value will increase. An adjuster was added so that the model will adjust a target
variable until it reached a specified value.

6. CONCLUSION
To conclude this stimulation of an acyclic process where toluene was produced from
n-heptane by dehydrogenation it is shown that the mole fraction of each component
at the outlet stream for top product (gas phase) for n-heptane are 0.0378, toluene
are 0.00529 and hydrogen 0.95691. However the mole fraction at the outlet stream
for bottom product (liquid phase) are 0.8488 for n-heptane, 0.15068 for toluene and
0.00052 for hydrogen. However, the amount of toluene produces in liquid phase are
less than the other product which prove that it needs more purification process to
produce more pure toluene in the system.

14