Contents of lab 4: will be covers the following sub topics.

1. Types of Reactors available in Aspen plus

2. Simulation of ammonia production from H2 &N2
3. Produce Ethyl benzene using with RCSTR and RPLUG Baru D.(M.Sc.)
4. process Flowsheet Development (PFD) Academic year 2020/2021
 Types of Reactors available in Aspen plus

Aspen Plus provides seven different models of reactor blocks that deal
with chemical reactors in different ways. The figure below is shows the
7 different models of reactor blocks.
 ….cont`d
1. RStoic: a stoichiometry-based reactor with specified extents of reaction.
2. RYield: a reactor based on specified yields.
3. REquil: a rigorous equilibrium reactor based on reaction stoichiometry.
4. RGibbs: a rigorous reactor which includes phase equilibrium using Gibbs
free energy minimization.
5. RCSTR: a rigorous stirred-tank reactor with rate-controlled reactions
based on specified kinetics.
6. RPlug: a rigorous plug flow reactor with rate-controlled reactions based
on specified kinetics.
7. RBatch: a rigorous batch and semi batch reactor with rate-controlled
reactions based on specified kinetics.
What are the purpose and use of different type of Reactor models in Aspen Plus?
 …….cont`d
From a given reaction determine the molar extent of conversion or
fractional conversion of a component specified for each reaction.

Where X is molar extent of reaction

Material balance equations with the feeds and products of component i, defined as
Fi and Pi , respectively for a reactant.
 eg. Simulate an ammonia production from H2 &N2
The reaction involved is the formation of ammonia producing from hydrogen
and nitrogen. A Feed flow rate 1000kmol/hr with 70% mole fraction of H 2. A
feed temp and pressure is at 25℃ & 2bar. A reaction conversion of H2. to
Ammonia is 95%. Used the two reactor Rstoic type and split equal amount of
feed flow rate for two reactor. operating condition of reactor is 2bar & 45℃.
For thermodynamic method used CHAO-SEA method. 0.5N2+1.5H2NH3
1. How many ammonia would produced?
2. How many reactants left leave out with NH3?

Select Components Select Methods

 Procedure
n p ut
n i
atio
ifi c
s pec
ch io
RSt

RSTIO1
FEEDSP1

PRO1
Feed stream input
FEED1

SPL ITER RSTIO2

FEEDS2

PRO2

Reaction setup input

 …. Cont`d
Define the Reaction setup, double click on reactions

Click on new, and

Selected power law
ok

try
e
m
io nd
ch A
toi cts.
x n S du rium
e r ro lib
th d p ui
e d an Eq
c ifi nts ype
e a t
Sp act on
Re acti
Re
 …. Cont`d
Specified the operations conditions for SPLITTER, RSTOIC1 and RSTOIC2.

1st Click on Reaction

Then fill it.
 ……cont`d
Follow the same procedure for RSTOIC2 as well as RSTOIC1.
Then After filled all the operation conditions and inputs; RUN the
simulation. RESULTS:
FREACT PRDUCT PRODUCT
Parameters REACTANT FREA1 2 1 2
           
Temperature C 25 25 25 45 45
Pressure bar 2 2 2 2 2
Vapor Frac 1 1 1 1 1
Mole Flow kmol/hr 1000 500 500 278.333 278.333
Mass Flow kg/hr 9815.16 4907.58 4907.58 4907.58 4907.58
Volume Flow cum/hr 12405.867 6202.933 6202.933 3649.936 3649.936
Enthalpy Gcal/hr 0 0 0 -2.389 -2.389
Mole Flow kmol/hr
NITRO-01 300 150 150 39.167 39.167
HYDRO-01 700 350 350 17.5 17.5
AMMON-01 0 0 0 221.667 221.667
 Exercise 1.
•   reaction of benzene and chlorine to form mono- and di benzyl
The
chloride with hydrochloric acid as a by-product. In the absence of
kinetic data the ratio of products is specified as yields. The yields for
this reaction is:
Compounds Yields
HCl 0.001
C6H5Cl 0.04
C6H6+Cl2 C6H5Cl + HCl
C6H4Cl2 0.04 C6H5Cl + Cl2 C6H4Cl + HCl
Cl2 and C6H6 0

It should be noted that the multiplication of the yield data by a factor

of 10.
The feed flow rate benzene and Chlorine are 400 and 600 kmol/hr
respectively, and at room temperature. Ryield is operated 50 @1.5bar
Simulate the above problem using Aspen Plus software and how
many un-reactants leave out?
Practice a given example below use RCSTR and RPLUG
•The
  chemical processing is used to illustrate the use of Aspen Plus is the reaction
of ethylene with benzene to produce ethyl benzene.
Reaction: Ethylene + Benzene Ethyl benzene

The recommended method is CHAO-SEA for property analysis. And the reaction
kinetics used Power Law. The feed inter with 0.5kmol/s and 1kmol/s of ethylene
and benzene respectively at 30oc and 15atm.
For RCSTR operation condition 10 atm and 150 oc with volume of Reactor is
100m3
For RPLUG operation condition 10 atm and 150 oc with Reactor specification 4m
and 0.5m of Length and Diameter.
Find the Conversion of Ethylene in this reaction? Hint
X= {(C ethylene)i - (C ethylene)f}/ (C ethylene)i
 process Flowsheet Development (PFD)
The PFD contains process details of each processing unit and all reaction units, connected
by the main process lines.
Each unit operation and reaction unit will contain basic design data, such as operating
temperature and pressure, and limited equipment design data, such as the number of
theoretical stages required.
Heuristics principles
When developing a process flow diagram, the following experience-based ideas are
worthwhile:
1. A large flowsheet should be divided into a subset of smaller flowsheet.
2. Each subset should have its own appropriate properties.
3. Initially, in solving a subset, basic blocks without energy balances should be employed
and converged.
4. All initial attempts to converge should use Aspen Plus defaults (i.e., Wegstein’s method).
 …cont`d (Heuristics principles)

5. Initial convergence should be with loose specifications.

6. As the development proceeds, the basic blocks should be replaced, one or
two at a time, with rigorous blocks, and energy balances turned on.
7. The rigorous blocks should be tested on a stand-alone basis with feeds
from the streams calculated using the blocks prior to integration.
8. When a subset is executed using rigorous blocks, the independent
variables from all tear streams that are feeds to the blocks should be
transferred from the converged initial flowsheet where the basic blocks
were used.
9. If the Aspen Plus-selected tear streams within the subsets are not
suitable, new tear streams should be identified.
10. When the subsets are completed, assembly of a fully rigorous flowsheet
should be proceed one subset at a time with intermediate testing.
 Example Cyclohexane Production
• 
Objective - Create a flowsheet to model a cyclohexane production process
Cyclohexane can be produced by the hydrogenation of benzene in the following reaction:
C6H6 + 3 H2  C6H12
Benzene Hydrogen Cyclohexane
The benzene and hydrogen feeds are heated before entering a fixed bed catalytic reactor. Assume a
benzene conversion of 99.8%. Stream flow rate hydrogen 400kmol/min, it consist mole fraction of
(95% of H2, 3% of N2 and 2% of CH4 ) at temperature 50 and pressure 25bar. A pure benzene flow
rate is 100kmol/min at temperature 40 and pressure 1bar. The thermodynamic property method is
used RK-Soave.
The reactor effluent is cooled down before entering flash separator to separate the liquid and vapor
phases. The liquid product stream from the separator is fed to a distillation column to further
remove any dissolved light gases and to stabilize the end product.
The feed heater at temperature 150 and pressure 23bar; for a reactor operation condition is at
temperature 200 and pressure drop 1bar; Flash separator operate at temperature 50 and pressure
drop 0.5bar; and distillation column operate at temperature 50 and pressure 15bar, number of stage
12 and feed enter at stage 8.
Process flowsheet of Cyclohexane Production
 Remain part from lab 4: please practice it!!
Practice a give figure as following, the feed streams values and
operations conditions of Unit operations are given below.
 Results summary in table forms

Parameters/variables FEED STEAM MIXEDF FHEATED VAPOR LIQUID VAPOR1 LIQUID2

                 
Temperature C 25 100 37.4 85 75 75 85 85
Pressure bar 1.5 1.75 1.5 1.5 1.25 1.25 1.25 1.25
Vapor Frac 0 0 0 1 1 0 1 0
Mole Flow kmol/hr 1000 500 1500 1500 1373.272 126.728 4.528 122.201
Mass Flow kg/hr 66595.77 9007.64 75603.41 75603.41 64980.31 10623.1 265.401 10357.7
Volume Flow cum/hr 74.092 9.809 82.595 29777.77 31800.95 12.961 107.864 12.822
Enthalpy Gcal/hr -9.963 -33.436 -43.399 -28.99 -31.153 0.915 -0.042 1.041
Mole Flow kmol/hr
BENZE-01 500 0 500 500 441.495 58.505 1.976 56.529
TOLUE-01 250 0 250 250 184.921 65.079 0.878 64.201
WATER 250 500 750 750 746.856 3.144 1.674 1.47