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BKF3553
PROCESS SIMULATION &
COMPUTER AIDED DESIGN

Sem II
2019/2020

CHAPTER 4
SIMULATION OF
SEPARATION PROCESS (PART
II)
RIGOROUS DISTILLATION
1
COLUMN
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LEARNING OUTCOMES
Upon the completion of this topic, students should be able to:

Describe the rigorous distillation model (RadFrac)

Identify the minimum input required for the simulation of distillation

process using RadFrac fractionation model

Determine the best operating parameter to achieve the desired product

purity using “Design SPEC/VARY” function

Estimate the column height and diameter using Radfrac

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RADFRAC – RIGOROUS MULTISTAGE

SEPARATION
 RIGOROUS METHODS- solution of stage by stage material balances, energy
balances, and thermodynamic equilibrium equations.
 The distillation unit completes much more rigorous calculations than the
other two methods and can be used to simulate absorption, stripping,
extractive distillation, and azeotropic distillation of solids, liquids and
gases.
 This column can also be used for highly non-ideal liquid solutions or
processes with an on-going chemical reaction.
 Rafrac column can have multiple feed and product streams (including
pump-around streams) and it can simulate columns with trays, random, or
structured packing.
 Rigorous method is much more complicated than short cut methods.
+ RADFRAC FLOWSHEET
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CONNECTIVITY

Number of stages
vs
Number of trays

Typically in Radfrac model,

Stage 1- condenser
Last stage- reboiler

A distillation column with 38 trays has 40

stages (38 trays + reboiler + condenser)
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SOME RADFRAC OPTIONS
 To set up an ABSORBER with no condenser or reboiler, set condenser and reboiler
to none on the RadFrac Setup Configuration sheet

 Either VAPORIZATION OR MURPHREE EFFICIENCY on either a stage or

component basis can be specified on the RadFrac Efficiency form

 TRAY AND PACKED COLUMN design and rating is possible

 A SECOND LIQUID PHASE may be modeled if the user selects VAPOR-LIQUID-

LIQUID as Valid phase

 REBOILER AND CONDENSER HEAT CURVES can be generated

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EXAMPLE 4.4- RADFRAC RIGOROUS

MODEL
Vapor stream containing ethylene and ethane with the following
(Same case with EXAMPLE 4.1)
specification is fed to a distillation column for separation.
 68.5 wt% ethylene
 31.5 wt% ethane
 7,300,000 lb/day flowrate
 350 psig
The whole column operates at 300 psi (Both Reboiler and Total
Condenser are at 300 psi). Simulate the distillation process using
Rafrac using Peng-Rob thermodynamics model and

a) Determine the purity of ethylene in the top product and

bottom product (in wt%)
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b) It is desired to produce
i. A distillate product stream containing a minimum of 99.96 wt%
ethylene
ii. A bottom product contains not more than 0.01 wt% ethylene
Apply Design/Spec function to identify the operating parameters to
obtain the desired purity as stated above and determine if this separation
is feasible
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PROBLEM SOLVING
 Create blank simulation>select components>select property method>run to generate
properties of all the components
 Shift to simulation tab>construct flow sheet>include feed info>include block (Radfrac)
info>run simulation

Choose Radfrac as
the block model

Shift to simulation
tab and construct
flowsheet
 Connect the distillate to the Liquid Distillate
Option for Total Condenser 9
* The selection must be correct to avoid of
problems to fill up the column specifications

Connect the block

with all the
required streams
1 feed, 2 products
 Shift to simulation tab>construct flow sheet>include feed info>include block 10
(Radfrac) info>run simulation
A blue tick will be shown once all
the required info is included.

The feed info is

included based on
the input from the
question

The pressure of
the feed in vapor
phase is given.
Therefore,
pressure and vapor
fraction are
included.
Shift to simulation tab>construct flow sheet>include
feed info>include block (Radfrac) info>run 11
simulation

Extract the information from the

simulation using DSTWU for the same
process (Example 4.1) and include the
column configuration in T-101 Setup
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Extract the feed stage from the simulation using

DSTWU for the same process and include the
Stream info in T-101 Setup
Shift to simulation tab>construct flow sheet>include feed info>include block (Radfrac)
13
info>run simulation
Once the required input is complete.
Run the simulation to obtain the
results
Include the condenser
pressure.
Condenser pressure=
Column pressure
because assuming no
pressure drop
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Simulation results like

reboiler and condenser
duty, reboiler and
condenser temperature
can be obtained from
the results sheet under
Block T-101
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Answer for Question (a)
Purity of C2H4 in the top product= 99.11 wt%
Purity of C2H4 in the bottom product= 1.13 wt%

Stream results can be

obtained from the
stream results sheet
under Block T-101
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Click NEW to create the design
specification

In order to answer
Question (b), setup
design specifications
under the Block T-101

* Optionally, you may

also use the design
specification function
under flowsheeting
options
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Fill up Design
Specification (1)
Tab Specification

Targeted mass purity

of ethylene in the top
product= 99.96 wt%=
0.9996 in fraction
basis
 Mass purity of ethylene = mass of ethylene/ total mass of top product
(all components in top product) 18

Therefore, all the components are shifted to Selected Components

Fill up Design under the Base Components Section
Specification (1)
Tab Components

Targeted component:
Ethylene
Therefore,
Shift ethylene to the
Selected Components
Column under the
Available Components
Tab
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Fill up Design
Specification (1)
Tab Feed/Product
Streams

Shift S2 (top product

stream) to the right
column as design spec
(1) is for the purity of
ethylene in top
product
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Fill up the Tab Components and
Feed/Product Streams like the procedure
Click NEW to create given for Design Specification (1)
Design Specification
(2)

Then fill up Tab

Specification

Targeted mass purity

of ethylene in the
bottom product= 0.01
wt%= 0.0001 in
fraction basis
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Setup Vary under the

Block T-101 if Design
Spec is setup under
the same Block

* Optionally, you may

also use the design
specification and vary
function under
flowsheeting options

Click NEW to create

Vary (1) and (2)
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The range of the parameters should

encompass the value set in the
configuration sheet, e.g 4.156 is in
between 1-10.

The parameters set in Vary 1 and

Vary 2 should be the operating
specifications set in the
configuration sheet under the
column input

Therefore, Vary 1 and Vary 2

should be Reflux Ratio and
Distillate to Feed Ratio or vice
versa
Set the range for Vary 2, parameter Distillate to Feed Ratio 23
ranged 0.01 to 0.99.

** Distillate to feed is a ratio, meaning is a fraction. Its

value should be in between a number close to 0 and 1.
** Do not put zero as lower bound as it will lead to error.
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Once all the input

required for design
spec and vary is
complete, then run
the simulation

Check the results

under design specs, it
shows that the
desired purity for the
top and bottom
products are
obtained.
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Check the results

under vary, it shows
that the required
parameters settings
are:

Reflux ratio: 8.129

Distillate to feed ratio:
0.7
(Answer for Question
(b)
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Check the stream

results under the
Block T-101 again, the
purity of ethylene in
the top and bottom
has been revised
based on the
parameters identified
in Design/Vary Tab
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Done Session 1 for Rigorous Method
Session 2 to be continued…..

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RADFRAC DESIGN SPECS AND VARY

 Design specifications can be specified inside the RadFrac block
using DesignSpecs and Vary forms
 One or more RadFrac inputs can be manipulated to achieve
specifications on one or more RadFrac performance parameters
 The number of specs should, in general, be equal to the number
of varies
 The DesignSpecs and Varys in a RadFrac are solved in a “Middle
loop”.
 If you get an error message saying that the middle loop was
not converged, check the DesignSpecs and Varys you have
entered.
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EXAMPLE 4.5- RADFRAC RIGOROUS

MODEL
We would
(Same like to
case with design a column
EXAMPLE 4.2) to separate n-butane and cis-2-butene.

The feed information is as follows:

 Vapor fraction : 0.5
 Pressure: 1 bar
 50 kmol/hr for each n-butane and cis-2-butene

Use Peng-Rob as the property method, simulate the distillation process to:

a) Determine the purity of n-butane in the distillate product in mole%

b) Determine the column operating parameter to achieve the desired purity of n-
butane of 99 mole% in the distillate product.
c) Estimate the diameter of the column if sieve tray is used as the column internal.
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Adopting the procedure as given in Example 4.4

1. Prepare the simulation results from Example 4.2 as shown below:

2. Create blank simulation>select components>select property method>run to generate

properties of all the components
3. Shift to simulation tab>construct flow sheet>include feed info>include block (Radfrac) info>run
simulation
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Answer for Question (a)
Purity of C4H10 in the top product= 98.59 mole%

Stream results can be

obtained from the
stream results sheet
under Block T-101
 Click NEW to create the Design Spec (1) to include the 32
targeted n-butane purity in the distillate product as 99
mole% (0.99 in terms of fraction).

In order to answer Fill up the Tab Components and Feed/Product Streams

Question (b), setup
design specifications
under the Block T-101

* Optionally, you may

also use the design
specification function
under flowsheeting
options
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Setup Vary under the

Block T-101 if Design
Spec is setup under
the same Block

* Optionally, you may

also use the design
specification and vary
function under
flowsheeting options

Click NEW to create

Vary (1) to include the
reflux ratio ranged 1-
200
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Check the results

under vary, it shows
that the required
parameters setting to
obtain 99 mole% of n-
butane in the distillate
is:

Reflux ratio: 33.125

(Answer for Question
(b)
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Click NEW to create the a Section to include the

details of column internal

To answer Question
(c), you need to setup
in the Column
Internals under Block
T-101
 Fill up 36
-The start and end stage: 2-82
-Internal type: Trayed
-Tray/packed type: Sieve Tray

Then column diameter can be estimated by Aspen Plus,

3.454 meter (Answer for Question (c).

Fill up the details in

the Sections under
Column Internals
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RADFRAC CONVERGENCE PROBLEMS

If a Radfrac column fails to converge, doing one or more of the
following could help:

1. Check that physical property issues (choice of property method,

parameter availability, etc.) are properly addressed.

2. Ensure that column operating conditions are feasible.

3. If the column err/tol is decreasing fairly consistently, increase the

maximum iterations on the Radfrac Convergence Basic Sheet.
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4. Provide temperature estimates for some stages in the column

using the Radfrac Estimates Temperature Sheet (useful for
absorbers).
5. Provide composition estimates for some stages in the column
using the Radfrac Estimates Liquid Composition and Vapor
Composition Sheet (useful for highly non-ideal systems).
6. Experiment with different convergence methods on the
Radfrac Setup Configuration Sheet.
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EXERCISE RIGOROUS METHOD

Simulate the
PROBLEM ANALYSIS
Simulate the distillation process and
distillation process
based on the info
given using NRTL-RK
(a) Determine the operating parameters for the
property method production of distillate with 99.95 wt% of
methanol and bottom with 99.9 wt% of
water.
(b) Perform a tray sizing calculation for the
entire column, given that Bubble Cap trays

Total flow= 120,000 lb/hr are used. Record the predicted column
Pressure: 20 psia diameter.
Saturated liquid (vapor
fraction=0)

No simulation using DSTWU is required prior to the simulation

using Radfrac because all needed info is included.
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CHECK THE PROGRESS OF YOUR

LEARNING
 Please go through Quiz 4 before 10th Jun 2020, 11.59 pm.
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REVISIT LEARNING OUTCOMES

Upon the completion of this topic, students should be able to:

Describe the Identify the Determine the Estimate the

rigorous minimum best column
distillation input required operating height and
for the parameter to
model simulation of achieve the
diameter
(RadFrac) distillation desired using
process using product purity Radfrac
RadFrac using “Design
fractionation SPEC/VARY”
model function