Muhammad Ali Hamid 2019-CH-404

Lab Report
Reactors analysis
Objective:
To Solve the Problems on different Type of Reactors by Using Aspen Plus V11.0

 To understand the basic use of Aspen plus in reactor designing

 To make Energy and Material Balance on reactors
 Know about the efficiency of Given Reactors

Reactors Models:
 RYIELD
 RBATCH
 RGIBBS
 RCSTR
 RPLUGFLOW
 RSTOIC

Theory:

What is Chemical Reactor?

The reactors, in which chemicals are made in industry, vary in size from a few cm 3 to the vast
structures that are often depicted in photographs of industrial plants. For example, kilns that
produce lime from limestone may be over 25 meters high and hold, at any one time, well over
400 tons of materials. The design of the reactor is determined by many factors but of
particular importance are the thermodynamics and kinetics of the chemical reactions being
carried out.

Major Types of Reactors:

There are two major Types of Reactors

 Batch Reactor
 CSTR Reactor (Continuous stirrer Tank)

Batch Reactor:

Batch reactors are used for most of the reactions carried out in a laboratory. The reactants are
placed in a test-tube, flask or beaker. They are mixed together, often heated for the reaction to
take place and are then cooled. The products are poured out and, if necessary, purified. This
Muhammad Ali Hamid 2019-CH-404

procedure is also carried out in industry, the key difference being one of size of reactor and
the quantities of reactants.

CSTR Reactor (Continuous stirrer Tank):

In a CSTR, one or more reactants, for example in solution or as a slurry, are introduced into a
reactor equipped with an impeller (stirrer) and the products are removed continuously. The
impeller stirs the reagents vigorously to ensure good mixing so that there is a uniform
composition throughout. The composition at the outlet is the same as in the bulk in the
reactor. These are exactly the opposite conditions to those in a tubular flow reactor where
there is virtually no mixing of the reactants and the products.

A steady state must be reached where the flow rate into the reactor equals the flow rate out,
for otherwise the tank would empty or overflow. 
Muhammad Ali Hamid 2019-CH-404

Plug Flow/Tubular Reactor:

In a tubular reactor is also called plug flow reactor in which fluids (gases and/or liquids) flow
through it at high velocities. As the reactants flow, for example along a heated pipe, they are
converted to products. At these high velocities, the products are unable to diffuse back and
there is little or no back mixing. The conditions are referred to as plug flow. This reduces the
occurrence of side reactions and increases the yield of the desired product. With a constant
flow rate, the conditions at any one point remain constant with time and changes in time of
the reaction are measured in terms of the position along the length of the tube. The reaction
rate is faster at the pipe inlet because the concentration of reactants is at its highest and the
reaction rate reduces as the reactants flow through the pipe due to the decrease in
concentration of the reactant.

Reactors Models and its Specification According to its work:

Model Stoichiometry Kinetics Rigorous Feed

RSTOIC Yes No No Any
RYIELD No No No Any
REQUIL No No No Any
RGIBBS No No No Any
RBATCH Yes Yes Yes 1
RCSTR Yes Yes Yes Any
RPLUG Yes Yes Yes 1
Muhammad Ali Hamid 2019-CH-404

By using Different Reactors Models the Problem and its Solutions

are as under:
1: RYIELD:
Objective:
To learn that How reactor normalize the material balance when yield distribution is known

Problem Description:

Property Packaging:
Parameter Componen Componen Componen Componen Componen
s Units Data set t t t t t
BENZENE CHLORINE CB HCL
API 1 28.5 -30.239 -3.23104 340
CHARGE 1 0 0 0
cal/mol-
DCPLS K 1 0.319416 2.55508 5.37697 2.48096
DGFORM cal/mol 1 30954.4 0 23476.2 -22762
DHAQFM cal/mol 1 -5588.99 -39925.2
DHFORM cal/mol 1 19795.5 0 12202.6 -22047.9
DHVLB cal/mol 1 7341.38 4874.77 8495.41 3868.56
FREEZEPT C 1 5.53 -101.03 -45.2 -114.18
HCOM cal/mol 1 -749021 0 -710805 -6830.99
HCTYPE 1 5
HFUS cal/mol 1 2356.45 1530.05 2282.41 477.692
MUP debye 1 0 0 1.69083 1.07925
MW 1 78.1136 70.9054 112.558 36.4606
OMEGA 1 0.2103 0.0688183 0.249857 0.131544
OMGPRS 1 0.212
PC bar 1 48.95 77.1 45.191 83.1
PCPRS bar 1 49.24
Muhammad Ali Hamid 2019-CH-404

RKTZRA 1 0.2697 0.27725 0.26508 0.26637

cal/mol-
S025E K 1 101.864 53.2905 42.2514
SG 1 0.8844 1.39738 1.10315 0.3
TB C 1 80.09 -34.03 131.72 -85
TC C 1 288.9 144 359.2 51.5
TCPRS C 1 289.45
TPT C 1 5.53 -101.03 -45.2 -114.18
VB cc/mol 1 95.8294 45.5063 114.461 30.563
VC cc/mol 1 256 124 308 81
VLSTD cc/mol 1 88.5091 50.8703 102.29 53.5578
ZC 1 0.268 0.276 0.265 0.249

Simulation:

Summary Results:
Column1 Column2 Column3 Column4
RYILED REACTOR
Material
Stream Name Units FEED OUT
Description
Muhammad Ali Hamid 2019-CH-404

From RYIELD
To RYIELD
Stream Class CONVEN CONVEN
Maximum Relative
Error
Cost Flow $/hr
MIXED Substream
Phase Vapor Phase
Temperature C 69.85 69.85
Pressure bar 1.01325 1.01325
Molar Vapor Fraction 1 0.62200684
Molar Liquid Fraction 0 0.37799316
Molar Solid Fraction 0 0
0.45525273
Mass Vapor Fraction 1 7
0.54474726
Mass Liquid Fraction 0 3
Mass Solid Fraction 0 0
-
10527.9457 4596.05245
Molar Enthalpy cal/mol 1 5
-
141.296651 61.6840969
Mass Enthalpy cal/gm 9 5
- -
15.3283357 22.5196669
Molar Entropy cal/mol-K 6 8
- -
0.20572318 0.30223878
Mass Entropy cal/gm-K 5 7
Molar Density mol/cc 3.61865E-05 5.7518E-05
0.00428564
Mass Density gm/cc 0.00269624 1
-
292442.936 127668.123
Enthalpy Flow cal/sec 3 8
Average MW 74.50952 74.50952
Mole Flows kmol/hr 100 100
BENZENE kmol/hr 50 10
CHLORINE kmol/hr 50 10
CB kmol/hr 0 40
HCL kmol/hr 0 40
Mole Fractions
BENZENE 0.5 0.1
CHLORINE 0.5 0.1
CB 0 0.4
HCL 0 0.4
Mass Flows kg/hr 7450.952 7450.952
Muhammad Ali Hamid 2019-CH-404

BENZENE kg/hr 3905.682 781.1364

CHLORINE kg/hr 3545.27 709.054
CB kg/hr 0 4502.336
HCL kg/hr 0 1458.4256
Mass Fractions
0.52418563 0.10483712
BENZENE 4 7
0.47581436 0.09516287
CHLORINE 6 3
0.60426318
CB 0 7
0.19573681
HCL 0 3
46057.6643 28976.4202
Volume Flow l/min 8 2
Vapor Phase
-
10527.9457 10414.2040
Molar Enthalpy cal/mol 1 8
-
141.296651 190.966379
Mass Enthalpy cal/gm 9 3
- -
15.3283357 2.74344723
Molar Entropy cal/mol-K 6 6
- -
0.20572318 0.05030688
Mass Entropy cal/gm-K 5 7
Molar Density mol/cc 3.61865E-05 3.58578E-05
0.00195547
Mass Density gm/cc 0.00269624 7
-
292442.936 179936.282
Enthalpy Flow cal/sec 3 7
54.5342280
Average MW 74.50952 9
62.2006840
Mole Flows kmol/hr 100 4
5.45560004
BENZENE kmol/hr 50 4
9.67192367
CHLORINE kmol/hr 50 5
7.40889539
CB kmol/hr 0 7
39.6642649
HCL kmol/hr 0 2
Mole Fractions
0.08770964
BENZENE 0.5 7
CHLORINE 0.5 0.15549545
Muhammad Ali Hamid 2019-CH-404

5
0.11911276
CB 0 4
0.63768213
HCL 0 4
3392.06629
Mass Flows kg/hr 7450.952 1
426.156777
BENZENE kg/hr 3905.682 8
685.791616
CHLORINE kg/hr 3545.27 9
833.933411
CB kg/hr 0 6
1446.18448
HCL kg/hr 0 4
Mass Fractions
0.52418563 0.12563338
BENZENE 4 7
0.47581436 0.20217518
CHLORINE 6 1
0.24584820
CB 0 6
0.42634322
HCL 0 6
46057.6643 28910.8149
Volume Flow l/min 8 2
Liquid Phase
4978.00998
Molar Enthalpy cal/mol 3
46.3588742
Mass Enthalpy cal/gm 6
-
55.0624356
Molar Entropy cal/mol-K 7
-
0.51278172
Mass Entropy cal/gm-K 2
0.00960270
Molar Density mol/cc 9
1.03113769
Mass Density gm/cc 1
52268.1589
Enthalpy Flow cal/sec 5
Average MW 107.379872
37.7993159
Mole Flows kmol/hr 6
4.54439995
BENZENE kmol/hr 6
0.32807632
CHLORINE kmol/hr 5
Muhammad Ali Hamid 2019-CH-404

CB kmol/hr 32.5911046
0.33573507
HCL kmol/hr 9
Mole Fractions
0.12022439
BENZENE 7
0.00867942
CHLORINE 5
0.86221413
CB 7
0.00888204
HCL 1
4058.88570
Mass Flows kg/hr 9
354.979622
BENZENE kg/hr 2
23.2623830
CHLORINE kg/hr 6
3668.40258
CB kg/hr 8
12.2411158
HCL kg/hr 5
Mass Fractions
0.08745740
BENZENE 8
0.00573122
CHLORINE 4
0.90379548
CB 7
0.00301588
HCL 1
65.6052976
Volume Flow l/min 8

2: Equilibrium Reactor:

Objective:
Calculate the equilibrium constant at outlet temperature
Muhammad Ali Hamid 2019-CH-404

Problem Description:

Property Packaging:
Column1 Column2 Column3 Column4 Column5 Column6 Column7
Parameter Compone Compone Compone Compone
s Units Data set nt nt nt nt
N2 H2 NH3
API 1 340 340 340
CHARGE 1 0 0 0
DCPLS cal/mol-K 1 2.1353 1.64617 6.06676
DGFORM cal/mol 1 0 0 -3917.07
DHAQFM cal/mol 1 -1003.15 -19176.9
DHFORM cal/mol 1 0 0 -10962.5
DHVLB cal/mol 1 1329.97 214.136 5571.89
FREEZEPT C 1 -210.001 -259.2 -77.74
HCOM cal/mol 1 -57757.7 -75673.5
HFUS cal/mol 1 171.969 27.9689 1351.15
MUP debye 1 0 0 1.46899
MW 1 28.0135 2.01588 17.0306
OMEGA 1 0.0377215 -0.215993 0.252608
OMGPRS 1 0.045 0 0.255
PC bar 1 34 13.13 112.8
PCPRS bar 1 33.94 20.47 112.77
RKTZRA 1 0.28997 0.321 0.24658
S025E cal/mol-K 1 45.765 31.2124 69.7011
SG 1 0.3 0.3 0.3
TB C 1 -195.806 -252.76 -33.43
TC C 1 -146.95 -239.96 132.5
TCPRS C 1 -147 -229.55 132.4
TPT C 1 -210.001 -259.2 -77.74
VB cc/mol 1 34.6723 28.5681 24.9801
Muhammad Ali Hamid 2019-CH-404

VC cc/mol 1 89.21 64.147 72.47

VLSTD cc/mol 1 53.5578 53.5578 53.5578
ZC 1 0.289 0.305 0.242
Simulation:

Result Summary and Graph:

Muhammad Ali Hamid 2019-CH-404

3: Gibbs Reactor:
Objective:
To analyze the conversion and outlet mole flow of components within the equilibrium
temperature range.

Problem Description:

Property Packaging:
Dat
Paramet a Compone Compone Compone Compone Compone
ers Units set nt nt nt nt nt
CH4 H2O CO H2 CO2
API 1 340 10 340 340 340
CHARGE 1 0 0 0 0
cal/
DCPLS mol-K 1 2.33042 9.08288 1.64617 3.4056
DGFORM cal/mol 1 -12059.3 -54593.5 -32758 0 -94194
DGSFRM cal/mol 1 -56549.2
DHAQFM cal/mol 1 -21266.8 -28891 -1003.15 -98834
DHFORM cal/mol 1 -17798.8 -57757.2 -26400 0 -93988
DHSFRM cal/mol 1 -69962.7
DHVLB cal/mol 1 1951.68 9719.52 1432.6 214.136 3910
Muhammad Ali Hamid 2019-CH-404

FREEZEP
T C 1 -182.456 0 -205 -259.2 -56.57
HCOM cal/mol 1 -191702 -67593 -57757.7
HFUS cal/mol 1 224.85 1433.49 200.87 27.9689 2154.2
MUP debye 1 0 1.84972 0.1121 0 0
MW 1 16.0428 18.0153 28.01 2.01588 44.01
OMEGA 1 0.011548 0.344861 0.0482 -0.21599 0.2236
OMGPRS 1 0.01 0.348 0.093 0 0.231
PC bar 1 45.99 220.64 34.99 13.13 73.83
PCPRS bar 1 46.17 221.19 34.99 20.47 73.76
RKTZRA 1 0.28927 0.243172 0.2894 0.321 0.2726
cal/
S025E mol-K 1 63.7958 25.87 31.2124 50.37
SG 1 0.3 1 0.3 0.3 0.3
TB C 1 -161.49 100 -191.5 -252.76 -78.45
TC C 1 -82.586 373.946 -140.2 -239.96 31.06
TCPRS C 1 -82.52 374.2 -140.2 -229.55 31
TPT C 1 -182.456 0.01 -205 -259.2 -56.57
VB cc/mol 1 37.9694 18.8311 35.443 28.5681 35.019
VC cc/mol 1 98.6 55.9472 94.4 64.147 94
VLSTD cc/mol 1 53.5578 18.05 53.558 53.5578 53.558
ZC 1 0.286 0.229 0.299 0.305 0.274

Simulation:
Muhammad Ali Hamid 2019-CH-404

Result Summary:
Column1 Column2 Column3 Column4
Units FEED S2
Description
From RGIBBS
To RGIBBS
Stream Class CONVEN CONVEN
Maximum Relative Error
Cost Flow $/hr
MIXED Substream
Vapor Vapor
Phase Phase Phase
Temperatur
e C 299.85 299.85
Pressure bar 1.01325 1.01325
Molar Vapor Fraction 1 1
Molar Liquid Fraction 0 0
Molar Solid Fraction 0 0
Mass Vapor Fraction 1 1
Mass Liquid Fraction 0 0
Mass Solid Fraction 0 0
Molar - -
Enthalpy cal/mol 46489.8236 44304.135
Mass - -
Enthalpy cal/gm 2644.93238 2604.6358
Molar - -
Entropy cal/mol-K 5.84117401 4.2947041
Mass - -
Entropy cal/gm-K 0.33232026 0.2524852
Molar
Density mol/cc 2.13E-05 2.13E-05
Mass 0.00037451 0.0003623
Density gm/cc 8 3
Enthalpy - -
Flow cal/sec 58112.2795 57226.917
17.5769422 17.009723
Average MW 2 3
4.6500603
Mole Flows kmol/hr 4.5 6
Mole Fractions
Mass Flows kg/hr 79.09624 79.09624
Mass Fractions
Volume 3519.91710 3638.3467
Flow l/min 7 4
Vapor Phase
<add properties>
Muhammad Ali Hamid 2019-CH-404

4: Batch Reactor:
Objective:
 Check and plot the temperature profile
 Analyze the Concentration of reactants is the function of time

Problem Description:

Property Packaging:

Column
Column1 Column2 Column3 Column4 Column5 Column6 7
Property packages of RBATCH
Paramete Compone Compone
rs Units Data set nt nt Component
ETHYLENE BENZENE EB
API 1 265.5 28.5 30.8
CHARGE 1 0 0 0
DCPLS cal/mol-K 1 0.319416 11.6533
(cal/
DELTA cc)**.5 1 5.80099 9.1537 8.79694
DGFORM cal/mol 1 16346.6 30954.4 31224.3
DHAQFM cal/mol 1 8684.44
DHFORM cal/mol 1 12541.8 19795.5 7146.27
Muhammad Ali Hamid 2019-CH-404

DHVLB cal/mol 1 3221.34 7341.38 8506.57

FREEZEPT C 1 -169.15 5.53 -94.95
-
HCOM cal/mol 1 -315993 -749021 1.04E+06
HCTYPE 1 5 5
HFUS cal/mol 1 800.373 2356.45 2192.68
MUP debye 1 0 0 0.599587
MW 1 28.0538 78.1136 106.167
OMEGA 1 0.0862484 0.2103 0.30347
PC bar 1 50.41 48.95 36.09
RKTZRA 1 0.28128 0.2697 0.26208
S025E cal/mol-K 1 65.1669 101.864 167.03
SG 1 0.3564 0.8844 0.8718
TB C 1 -103.74 80.09 136.2
TC C 1 9.19 288.9 344
TPT C 1 -169.15 5.53 -94.95
VB cc/mol 1 49.3214 95.8294 139.668
VC cc/mol 1 131 256 374
VLCVT1 cc/mol 1 6.84 12.26 17.23
VLSTD cc/mol 1 84.7116 88.5091 122.062
ZC 1 0.281 0.268 0.263

Simulation:
Muhammad Ali Hamid 2019-CH-404

Result Summary:

Graph:

5: CSTR Reactor:

Objective:
Calculate the conversion of ethylene for given reaction kinetics
Muhammad Ali Hamid 2019-CH-404

Problem Description:

Property Packaging:
Componen Componen
Parameters Units Data set t t Component
ETHYLENE BENZENE EB
API 1 265.5 28.5 30.8
CHARGE 1 0 0 0
DCPLS cal/mol-K 1 0.319416 11.6533
DELTA (cal/cc)**.5 1 5.80099 9.1537 8.79694
DGFORM cal/mol 1 16346.6 30954.4 31224.3
DHAQFM cal/mol 1 8684.44
DHFORM cal/mol 1 12541.8 19795.5 7146.27
DHVLB cal/mol 1 3221.34 7341.38 8506.57
FREEZEPT C 1 -169.15 5.53 -94.95
HCOM cal/mol 1 -315993 -749021 -1.04E+06
HCTYPE 1 5 5
HFUS cal/mol 1 800.373 2356.45 2192.68
MUP debye 1 0 0 0.599587
MW 1 28.0538 78.1136 106.167
OMEGA 1 0.0862484 0.2103 0.30347
PC bar 1 50.41 48.95 36.09
RKTZRA 1 0.28128 0.2697 0.26208
S025E cal/mol-K 1 65.1669 101.864 167.03
SG 1 0.3564 0.8844 0.8718
TB C 1 -103.74 80.09 136.2
TC C 1 9.19 288.9 344
Muhammad Ali Hamid 2019-CH-404

TPT C 1 -169.15 5.53 -94.95

VB cc/mol 1 49.3214 95.8294 139.668
VC cc/mol 1 131 256 374
VLCVT1 cc/mol 1 6.84 12.26 17.23
VLSTD cc/mol 1 84.7116 88.5091 122.062
ZC 1 0.281 0.268 0.263

Simulation:

Result Summary:
Variable Initial value Final value Units
MANIPULATE
D 290 480 L
KMOL/
EIN 50 50 HR
KMOL/
EOUT 50 50 HR

Column1 Column2 Column3

RCSTR
Results Summary
Outlet
temperature 126.85 C
Outlet pressure 10.1325 bar
Outlet vapor
fraction 0
Heat duty 98760.4169 cal/sec
Net heat duty 98760.4169 cal/sec
Volume
Reactor 0.1 l
Muhammad Ali Hamid 2019-CH-404

Vapor phase
Liquid phase 0.1 l
Liquid 1 phase
Salt phase
Condensed phase 0.1 l
Residence time
Reactor 6.91E-06 hr
Vapor phase
Condensed phase 6.91E-06 hr

6: Plug Flow Reactor:

Objective:
Calculate the volume of plug flow reactor to produce the 300 million pounds of ethylene.

Problem Description:

Property Packaging:
Parameter Compone Componen Componen
s Units Data set nt t t
HYDROGE
ETHANE ETHENE N
API 1 265.5 265.5 340
Muhammad Ali Hamid 2019-CH-404

CHARGE 1 0 0 0
DCPLS cal/mol-K 1 1.77345 1.64617
DGFORM cal/mol 1 -7623.96 16346.6 0
DHAQFM cal/mol 1 -24383.8 8684.44 -1003.15
DHFORM cal/mol 1 -20020.1 12541.8 0
DHVLB cal/mol 1 3505.68 3221.34 214.136
FREEZEPT C 1 -182.798 -169.15 -259.2
HCOM cal/mol 1 -341225 -315993 -57757.7
HFUS cal/mol 1 682.86 800.373 27.9689
MUP debye 1 0 0 0
MW 1 30.0696 28.0538 2.01588
OMEGA 1 0.099493 0.0862484 -0.215993
PC bar 1 48.72 50.41 13.13
RKTZRA 1 0.28097 0.28128 0.321
S025E cal/mol-K 1 96.3793 65.1669 31.2124
SG 1 0.3564 0.3564 0.3
TB C 1 -88.6 -103.74 -252.76
TC C 1 32.17 9.19 -239.96
TPT C 1 -182.798 -169.15 -259.2
VB cc/mol 1 55.2291 49.3214 28.5681
VC cc/mol 1 145.5 131 64.147
VLSTD cc/mol 1 84.7116 84.7116 53.5578
ZC 1 0.279 0.281 0.305

Simulation:

Result Summary:
Column1 Column2 Column3 Column4 Column5 Column6 Column7
Molar
Reactor Temperatur vapor Residence
length Pressure e fraction Duty time Liquid holdup
meter bar C cal/sec hr
0 6.0795 826.85 1 0 0 0
Muhammad Ali Hamid 2019-CH-404

0.3048 6.0795 826.85 1 0 1.92E-05 0

0.6096 6.0795 826.85 1 0 3.83E-05 0
0.9144 6.0795 826.85 1 0 5.75E-05 0
1.2192 6.0795 826.85 1 0 7.67E-05 0
1.524 6.0795 826.85 1 0 9.59E-05 0
0.0001150
1.8288 6.0795 826.85 1 0 3 0
2.1336 6.0795 826.85 1 0 0.0001342 0
0.0001533
2.4384 6.0795 826.85 1 0 8 0
0.0001725
2.7432 6.0795 826.85 1 0 5 0
0.0001917
3.048 6.0795 826.85 1 0 2 0

Column1 Column2

Name RPLUG

Process stream property method SYSOP0

Process stream Henry's component list ID

Process stream electrolyte chemistry ID

Process stream use true species approach for
electrolytes YES

Process stream free-water phase properties method STEAM-TA

Process stream water solubility method 3

Thermal fluid property method SYSOP0

Thermal fluid Henry's component list ID

Thermal fluid electrolyte chemistry ID

Thermal fluid use true species approach for
electrolytes YES

Thermal fluid free-water phase properties method STEAM-TA

Thermal fluid water solubility method 3

Number of tubes

Reactor dimensions length [ft] 10

Reactor dimensions diameter [ft] 3

Pressure at reactor inlet: process stream [bar] 0

EO Model components
Muhammad Ali Hamid 2019-CH-404

Heat duty [cal/sec] 0

Minimum reactor temperature [C] 826.85

Maximum reactor temperature [C] 826.85

Residence time [hr] 0.000191719

Thermal fluid inlet temperature

Thermal fluid inlet vapor fraction

Total feed stream CO2e flow [kg/hr] 0

Total product stream CO2e flow [kg/hr] 0

Net stream CO2e production [kg/hr] 0

Discussion:
Multiple types of reactor models give us the multiple type of analysis on different types of
components. But Mostly used reactor is CSTR and PLUGFLOW due to wide application and
work on steady state and work also continuously in industries reactions.

References:
1. https://youtu.be/bIsxmnvfs5Y
2. https://youtu.be/OziVZaRTxu0
3. https://youtu.be/BfiPerDfY5U
4. https://youtu.be/bIsxmnvfs5Y
5. https://youtu.be/uCg9dTZ4bRg
6. https://youtu.be/kObIymtg3WM
7. https://youtu.be/_DPxkmmeAJc
8. www.edupedia//reactor//.com
9. www.pubchem/reactors/typesofreactors//com