SIMULATION USING PLUG FLOW REACTOR 2013

ABSTRACT:
This laboratory is about the knowledge on how the simulation using the plug flow
reactor and it totally different and easier than the other tasks. In this lab 5, it is about the
comparison the result between the conversion with the different and varying length and
diameter of the plug flow reactor. Firstly, the plug flow is used in order to produce the
acetone from the reaction between ketene and methane. The flow rate of the feed that
enter into the reactor is 8000kg/hr of acetone. This reactor is assumed to be adiabatic with
the temperature is 1035K while the pressure is 1.6 atm. For the plug flow reactor, the state
of fluid package is different compare to the Peng-Robinson and SRK because it used
SYSOPO.
The objective is to calculate the conversion of the production by varying the length
and diameter of the tubes. For the starting, the length and diameter are assumed 3m and
1m respectively. Then, the result would come out and then we can calculate the conversion
of the production based on the molar flow of the components in the reactor.

INTRODUCTION:
In this experiment, the acetone was enter undergo a reaction to separate into two
components which are ketene and methane. The objective of this lab is known the
conversion of the acetone to produced ketene and methane with the different diameter and
length of the tubes. The feed that enter is 8000kg/hr thus what is the percentage conversion
at the end of the product??. By using this simulation, the entire question can be answer
easily.

OBJECTIVES:
1. To know the volume required for at least 20% conversion.
2. To know the percentage conversion of the product with the varying diameter and
length.
SIMULATION USING PLUG FLOW REACTOR 2013

METHADOLOGY:
CH
3
COCH
3
CH
2
CO + CH
4

The reaction is first order with respect to acetone. The fed condition is 8000 kg/hr of
acetone to tubular reactor. The reactor is adiabatic, with inlet T is 1035K and the pressure is
1.6atm.
1. Use SYSOPO of state fluid package.(SI unit)
2. Reactor : ADIABATIC Length: Assume 3 m Diameter: Assume 1 m
3. Reaction type LHHW
4. Kinetic: Vapour, k: 1.125, To 1000 K, E = 67999 cal/mol5.
5. Driving force: Term 1Reactant: acetone exponent to 1Products: ketene and methane
exponent to 0.
6. Driving force: Term 2 All exponents and constant B, C, D = 0
Constant A = -10000007.
7. There length, diameter, number of tubes can be change to achieve specific goal

PROCEDURE:
1. Aspen plus V7.3.2 was started.
2. New, chemical processes and chemicals with metric unit were selected and click
created.
1. The components were defined in the components, specifications and selection tab.
For component name, ACETONE, KETENE and METHANE were entered.
2. Next, property method was defined by clicking on methods in the navigation pane.
SYSOPO Equation of State was selected as the base method.
SIMULATION USING PLUG FLOW REACTOR 2013

3. After that, the flow sheet was constructed by clicked on simulation button at the
bottom left of the screen.
4. The equipment that is used in this laboratory was selected by clicked to the model
palette that have in the bottom of the screen.
5. The equipment that is only plug flow reactor.
6. The information that needed in the process such as flow rate, pressure, mole
fraction, temperature, driving force and reaction type of the equipment were
inserted in that equipment as in the question that provided in the lab manual.
7. The control panel was opened and the simulation was run.

APPARATUS:
List of equipment used in this process:
1. Plug flow reactor

FIGURE 1: PROCESS FLOW DIAGRAM
The process flow diagram above showed the equipment that had been used for the
production of ketene and methane in the reactor. The process only used plug flow reactor.
By setting up the data based on the specification stated, then the required information will
be analysed and transformed into a data stream as in result.


PLUG
FEED
PRODUCT
SIMULATION USING PLUG FLOW REACTOR 2013

RESULT/WORK BOOK:
There result that had been analysed:

FIGURE 2: STREAM TABLES




Heat and Material Balance Table
Stream ID FEED OUT
From PFR
To PFR
Phase VAPOR VAPOR
Substream: MIXED

Mole Flow kmol/hr

ACETONE 137.7410 109.4326
KETENE 0.0 28.30835
METHANE 0.0 28.30835
Total Flow kmol/hr 137.7410 166.0493
Total Flow kg/hr 8000.000 8000.000
Total Flow l/min 1.21855E+5 1.29843E+5
Temperature K 1035.000 914.8328
Pressure atm 1.600000 1.600000
Vapor Frac 1.000000 1.000000
Liquid Frac 0.0 0.0
Solid Frac 0.0 0.0
Enthalpy cal/mol -29235.24 -24251.17
Enthalpy cal/gm -503.3612 -503.3612
Enthalpy cal/sec -1.1186E+6 -1.1186E+6
Entropy cal/mol-K -17.68577 -11.30441
Entropy cal/gm-K -.3045068 -.2346362
Density mol/cc 1.88395E-5 2.13141E-5
Density gm/cc 1.09420E-3 1.02688E-3
Average MW 58.08004 48.17846
Liq Vol 60F l/min 169.8718 190.3017
SIMULATION USING PLUG FLOW REACTOR 2013

QUESTIONS:
1. What volume required for at least 20% conversion?
2. Fill he conversion below if configuration of reactor is set as below:

DIAMETER LENGHT CONVERSION %
2 1 18.91
1 2 21.69
2 2 24.39
1.5 1 17.72
1.8 1 20.65
0.9 1 15.59

ANSWER:
1. The volume required at least 20% conversion:
The formula:
V =

4
x L
At least 20% conversion, the specification od diameter and length as below:
Diameter, D= 2.65m
Length ,L = 1m
V =
265

4
x 1
= 5.52 m
3



SIMULATION USING PLUG FLOW REACTOR 2013

2. The conversion of the following diameter and length:
a) Diameter, D = 2m ; Length, L = 1m





b) Diameter, D = 1m ; Length, L = 2m

Heatan d Mater ial Balan ce Tab le
Str eam I D FEED PROD UCT
Fr o m PLUG
To PLUG
Ph ase VA POR VA POR
Su b str eam: MI XED
Mo le Flo w k mo l/h r
ACETO- 0 1 1 3 7 .7 4 1 0 1 0 7 .8 5 4 2
KETEN- 0 1 0 . 0 2 9 .8 8 6 7 5
METHA -0 1 0 . 0 2 9 .8 8 6 7 5
To tal Flo w k mo l/h r 1 3 7 .7 4 1 0 1 6 7 .6 2 7 7
To tal Flo w k g /h r 8 0 0 0 .0 0 0 8 0 0 0 .0 0 0
To tal Flo w l/min 1 .2 1 8 5 5 E+51 .3 0 0 7 9 E+5
Temp eratu r e C 7 6 1 .8 5 0 0 6 3 4 .7 1 2 8
Pr essu re b ar 1 .6 2 1 2 0 0 1 .6 2 1 2 0 0
Vap o r Fr ac 1 .0 0 0 0 0 0 1 .0 0 0 0 0 0
Liq u id Fr ac 0 . 0 0 . 0
So lid Fr ac 0 . 0 0 . 0
En th alp y cal/mo l - 2 9 2 3 5 .2 4 - 2 4 0 2 2 .8 2
En th alp y cal/g m - 5 0 3 .3 6 1 2 - 5 0 3 .3 6 1 2
En th alp y cal/sec - 1 .1 1 8 6 E+6- 1 .1 1 8 6 E+6
En tr o p y cal/mo l-K - 1 7 .6 8 5 7 7 - 1 1 .0 6 5 9 8
En tr o p y cal/g m- K - .3 0 4 5 0 6 8 - .2 3 1 8 7 0 6
Den sity mo l/cc 1 .8 8 3 9 5 E- 52 .1 4 7 7 8 E- 5
Den sity g m/cc 1 .0 9 4 2 0 E- 31 .0 2 5 0 2 E- 3
Av er ag e MW 5 8 .0 8 0 0 4 4 7 .7 2 4 8 1
Liq Vo l 6 0 F l/min 1 6 9 .8 7 1 8 1 9 1 .4 4 0 9
Heat and Material Balance Table
Stream ID FEED PRODUCT
From PLUG
To PLUG
Phase VAPOR VAPOR
Substream: MIXED
Mole Flow kmol/hr
ACETO-01 137.7410 111.6962
KETEN-01 0.0 26.04479
METHA-01 0.0 26.04479
Total Flow kmol/hr 137.7410 163.7857
Total Flow kg/hr 8000.000 8000.000
Total Flow l/min 1.21855E+5 1.29465E+5
Temperature C 761.8500 651.6236
Pressure bar 1.621200 1.621200
Vapor Frac 1.000000 1.000000
Liquid Frac 0.0 0.0
Solid Frac 0.0 0.0
Enthalpy cal/mol -29235.24 -24586.33
Enthalpy cal/gm -503.3612 -503.3612
Enthalpy cal/sec -1.1186E+6 -1.1186E+6
Entropy cal/mol-K -17.68577 -11.66140
Entropy cal/gm-K -.3045068 -.2387463
Density mol/cc 1.88395E-5 2.10850E-5
Density gm/cc 1.09420E-3 1.02988E-3
Average MW 58.08004 48.84430
Liq Vol 60F l/min 169.8718 188.6681
The conversion:


x 100%
:
13774101676277
1377410
x 100%
: 21.69%

SIMULATION USING PLUG FLOW REACTOR 2013

c) Diameter, D = 2m ; Length, L = 2m

d) Diameter, D = 1.5m ; Length, L = 1m


Heat and Mat eri al Bal ance Table
St ream ID FEED PRODUCT
From PLUG
To PLUG
Phase VAPOR VAPOR
Substream: MIXED
Mole Fl ow kmol/ hr
ACETO-01 137. 7410 104. 1527
KETEN-01 0.0 33. 58827
METHA-01 0.0 33. 58827
Tot al Fl ow kmol/ hr 137. 7410 171. 3292
Tot al Fl ow kg/ hr 8000. 000 8000. 000
Tot al Fl ow l /mi n 1. 21855E+5 1. 30539E+5
Temperature C 761. 8500 618. 2406
Pressure bar 1. 621200 1. 621200
Vapor Frac 1. 000000 1. 000000
Li qui d Frac 0.0 0.0
Sol id Frac 0.0 0.0
Ent hal py cal /mol -29235. 24 -23503. 81
Ent hal py cal /gm -503. 3612 -503. 3612
Ent hal py cal /sec -1.1186E+6 -1.1186E+6
Ent ropy cal /mol -K -17. 68577 -10. 53879
Ent ropy cal /gm-K -. 3045068 -. 2257003
Densi ty mol/ cc 1. 88395E-5 2. 18747E-5
Densi ty gm/cc 1. 09420E-3 1. 02141E-3
Average MW 58. 08004 46. 69373
Li q Vol 60F l /mi n 169. 8718 194. 1122
Hea t and Materia l Balanc e Ta ble
Strea m ID FEED PRODUCT
From PLUG
To PLUG
Phase VAPOR VAPOR
Substream: MIXED
Mole Flow kmol/hr
ACETO-01 137.7410 113.3266
KETEN-01 0.0 24.41431
METHA-01 0.0 24.41431
Total Flow kmol/hr 137.7410 162.1553
Total Flow kg/hr 8000.000 8000.000
Total Flow l/min 1.21855E+5 1.29163E+5
Temperature C 761.8500 658.7451
Pressure ba r 1.621200 1.621200
Vapor Frac 1.000000 1.000000
Liquid Frac 0.0 0.0
Solid Fra c 0.0 0.0
Enthalpy ca l/mol -29235.24 -24833.54
Enthalpy ca l/gm -503.3612 -503.3612
Enthalpy ca l/sec -1.1186E+6 -1.1186E+6
Entropy ca l/mol-K -17.68577 -11.93004
Entropy ca l/gm-K -.3045068 -.2418148
Density mol/cc 1.88395E-5 2.09239E-5
Density gm/c c 1.09420E-3 1.03229E-3
Ave rage MW 58.08004 49.33543
Liq Vol 60F l/min 169.8718 187.4914
The conversion:


x 100%
:
13774101713292
1377410
x100%
:24.39%
The conversion:


x 100%
:
13774101621553
1377410
X 100%
:17.72%
SIMULATION USING PLUG FLOW REACTOR 2013

e) Diameter, D = 1.8m ; Length, L = 1m

f) Diameter, D = 0.9m ; Length, L = 1m


Heat and Material Balance Table
Stream ID FEED PRODUCT
From PLUG
To PLUG
Phase VAPOR VAPOR
Substream: MIXED
Mole Flow kmol/hr
ACETO-01 137.7410 112.2940
KETEN-01 0.0 25.44694
METHA-01 0.0 25.44694
Total Flow kmol/hr 137.7410 163.1879
Total Flow kg/hr 8000.000 8000.000
Total Flow l/min 1.21855E+5 1.29357E+5
Temperature C 761.8500 654.2386
Pressure bar 1.621200 1.621200
Vapor Frac 1.000000 1.000000
Liquid Frac 0.0 0.0
Solid Frac 0.0 0.0
Enthalpy cal/mol -29235.24 -24676.40
Enthalpy cal/gm -503.3612 -503.3612
Enthalpy cal/sec -1.1186E+6 -1.1186E+6
Entropy cal/mol-K -17.68577 -11.75876
Entropy cal/gm-K -.3045068 -.2398608
Density mol/cc 1.88395E-5 2.10256E-5
Density gm/cc 1.09420E-3 1.03074E-3
Average MW 58.08004 49.02324
Liq Vol 60F l/min 169.8718 188.2367
Heat and Material Balance Table
Stream ID FEED PRODUCT
From PLUG
To PLUG
Phase VAPOR VAPOR
Substream: MIXED
Mole Flow kmol/hr
ACETO-01 137.7410 116.2728
KETEN-01 0.0 21.46816
METHA-01 0.0 21.46816
Total Flow kmol/hr 137.7410 159.2091
Total Flow kg/hr 8000.000 8000.000
Total Flow l/min 1.21855E+5 1.28556E+5
Temperature C 761.8500 671.5321
Pressure bar 1.621200 1.621200
Vapor Frac 1.000000 1.000000
Liquid Frac 0.0 0.0
Solid Frac 0.0 0.0
Enthalpy cal/mol -29235.24 -25293.09
Enthalpy cal/gm -503.3612 -503.3612
Enthalpy cal/sec -1.1186E+6 -1.1186E+6
Entropy cal/mol-K -17.68577 -12.44138
Entropy cal/gm-K -.3045068 -.2475976
Density mol/cc 1.88395E-5 2.06407E-5
Density gm/cc 1.09420E-3 1.03716E-3
Average MW 58.08004 50.24838
Liq Vol 60F l/min 169.8718 185.3652
The conversion:


x 100%
:
13774101631879
1377410
X100%
:20.65 %
The conversion:


x 100%
:
13774101592091
1377410
X100%
:15.59 %
SIMULATION USING PLUG FLOW REACTOR 2013

THEORY:
CH
3
COCH
3
CH
2
CO + CH
4

The reaction is first order with respect to acetone. The fed condition is 8000 kg/hr of
acetone to tubular reactor. The reactor is adiabatic, with inlet T is 1035K and the pressure is
1.6atm.
1. Use SYSOPO of state fluid package.(SI unit)
2. Reactor : ADIABATIC Length: Assume 3 m Diameter: Assume 1 m
3. Reaction type LHHW
4. Kinetic: Vapour, k: 1.125, To 1000 K, E = 67999 cal/mol5.
5. Driving force: Term 1Reactant: acetone exponent to 1Products: ketene and methane
exponent to 0.
6. Driving force: Term 2 All exponents and constant B, C, D = 0
Constant A = -10000007.
7. There length, diameter, number of tubes can be change to achieve specific goal


A tubular reactor is a vessel through which flow is continuous, usually at steady
state, and configured so that conversion of the chemicals and other dependent variables are
functions of position within the reactor rather than of time. In the ideal tubular reactor, the
fluids flow as if they were solid plugs or pistons, and reaction time is the same for all flowing
material at any given tube cross section. Tubular reactors resemble batch reactors in
SIMULATION USING PLUG FLOW REACTOR 2013

providing initially high driving forces, which diminish as the reactions progress down the
tubes.
Flow in tubular reactors can be laminar, as with viscous fluids in small-diameter
tubes, and greatly deviate from ideal plug-flow behaviour, or turbulent, as with gases.
Turbulent flow generally is preferred to laminar flow, because mixing and heat transfer are
improved. For slow reactions and especially in small laboratory and pilot-plant reactors,
establishing turbulent flow can result in inconveniently long reactors or may require
unacceptably high feed rates.
The plug flow reactor model (PFR, sometimes called continuous tubular reactor, CTR,
or piston flow reactors) is a model used to describe chemical reactions in continuous,
flowing systems of cylindrical geometry. The PFR model is used to predict the behaviour
of chemical reactors of such design, so that key reactor variables, such as the dimensions of
the reactor, can be estimated.
Fluid going through a PFR may be modelled as flowing through the reactor as a series
of infinitely thin coherent "plugs", each with a uniform composition, traveling in the axial
direction of the reactor, with each plug having a different composition from the ones before
and after it. The key assumption is that as a plug flows through a PFR, the fluid is perfectly
mixed in the radial direction but not in the axial direction (forwards or backwards). Each
plug of differential volume is considered as a separate entity, effectively an infinitesimally
small reactor, limiting to zero volume. As it flows down the tubular PFR, the residence time (
) of the plug is a function of its position in the reactor. In the ideal PFR, the residence time
distribution is therefore a Dirac delta function with a value equal to .