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BKF3553
PROCESS SIMULATION &
COMPUTER AIDED DESIGN

Sem II
2019/2020

SIMULATION OF
SEPARATION PROCESS
(PART III)
SIMULATION OF
EXTRACTION COLUMN 1
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LEARNING OUTCOMES

Build an extraction and solvent recovery

flowsheet

Configure EXTRACT and RADFRAC blocks

Examine results and compare direct distillation

vs extraction
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Important Terminology in Extraction

3
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EXTRACTION VS DISTILLATION
 For the separation of a water containing mixture, it may be more
energy efficient to use extraction instead of direct distillation. It is
because water has a high latent heat (heat of vaporization)
compared to many other components.
Extraction Distillation
Does not need heating or cooling Requires heating and cooling
Does not require thermal energy Requires thermal energy
(adiabatic) but requiring mechanical
energy for mixing and separation
Offers more flexibility in choice of Less flexibility in choice of operating
operating conditions conditions

Does not give pure product and needs Gives almost pure products
further processing
Requires additional solvent stream Does not require additional solvent
stream
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 In a liquid-liquid extraction unit, a liquid stream

(carrier) containing the
component(s) to be recovered (solute) is fed into an extractor, where it
contacts a solvent.
 The two liquids must be immiscible or only slightly miscible; this allows
them to form a dispersion, with one liquid dispersed as droplets in the
other.
 Mass transfer occurs between the droplets (dispersed phase) and the
surrounding liquid (continuous phase).
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 In order for the two liquids to be subsequently separated, they must have
different densities. The droplets then accumulate above or below the
continuous phase, depending on the liquids’ relative densities.
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 Counter-current extractors can be

arranged in one of two ways, the
choice of which depends on the
density of the solvent relative to that
of the solute carrier.
 If the solvent is less-dense than the
carrier liquid, the solvent is fed into
the bottom of the column, the
solute is carried upward to the top of
the extractor, and the carrier liquid is
removed from the bottom of the
unit (as shown in Figure 1(a)) .
 Figure 1(b) shows the extractor
configuration for the solvent which Figure 1(a) Figure 1(b)
is denser than the carrier liquid.
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EXTRACTION MODEL IN ASPEN PLUS

8
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EXTRACT
 Extract is a rigorous model for simulating liquid-liquid extractors. It can have multiple
feeds, heater/coolers, and side streams. Extract can calculate distribution coefficients
using:
 An activity coefficient model or equation of state capable of representing two liquid phases
 A built-in temperature-dependent correlation (KLL Correlation sheet)
 A Fortran subroutine (KLL Subroutine sheet)
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EXAMPLES

10
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EXAMPLE 4.6A
(Refer to Dist-009 for the detailed description)

Acetone is separated from water in an extraction column using 3-methylhexane as

solvent. Simulate the extraction process based on the information given as follows:
 Property method: UNIQ-RK

 Feed specifications:
 Water and acetone mixture (50 wt% each)
 Temperature: 25C
 Pressure : 1 bar
 Total flowrate: 100 kg/hr

 Solvent 3-methylhexane specifications:

 Temperature: 30C
 Pressure: 1 bar
 Total flowrate:150 kg/hr

 Extraction column specifications:

 Number of stages: 8
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EXAMPLE 4.6A: PROBLEM ANALYSIS

 Solute: Acetone (ACT)
 Carrier: Water (H2O)
 Solvent: 3-methylhexane (3MH)
 Model: Extract
 Top feed: Feed (acetone-water mixture)
 Bottom feed: 3MH Solvent (based on the specific gravity info below, it is less
dense than the carrier liquid)
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EXAMPLE 4.6A: PROBLEM SOLVING

 Create blank simulation>list all the components>select property method>run to generate
properties (results available for PROPERTIES TAB)
 Construct flowsheet

S1- Feed (H2O+ACT)

S2- 3MH
S3- Extract
(3MH+ACT)
S4- Raffinate (H2O)
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 Construct flowsheet> enter feed streams specifications

Top feed
(H2O+ACT)
specifications
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 Construct flowsheet> enter feed streams specifications

Bottom feed
(3MH
Solvent)
specifications
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 Construct flowsheet> enter feed streams specifications> enter

column specs

Adiabatic
column with
8 stages
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 Construct flowsheet> enter feed streams specifications> enter

column specs> enter key components
Key components: Carrier (H2O) & Solvent
(3MH)
1st liq: Key component in top feed, H2O
2nd liq: Key component in bottom feed, 3MH
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 Construct flowsheet> enter feed streams specifications> enter

column specs> enter key components> include pressure info

Include the
column
pressure
based on the
pressure of
top feed
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 Construct flowsheet> enter feed streams specifications> enter

column specs> enter key components> include pressure info>
include temperature estimates
Include the temperature
estimates based on the
temperature of the top feed
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 Construct flowsheet> enter feed streams specifications> enter

column specs> enter key components> include pressure info>
include temperature estimates> run simulation
S3 (extract stream): Mixture of 3MH and
acetone with minute amount of water
S4 (raffinate stream): water with 99.998
mol%
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EXAMPLE 4.6B
 In order to obtain the product acetone with higher purity, the extract stream (S3) from
extraction column is fed to a solvent recovery distillation column with the following
specifications. Simulate the process by adding a distillation column to the extraction
column in the flowsheet of Example 4.6A.

 Specifications of solvent recovery distillation column:

 Number of stages: 50
 Condenser: partial vapor (distillate in vapor phase)
 Reboiler: kettle
 Valid phase: vapor-liquid-liquid
 Distillate rate: 50 kg/hr
 Reflux ratio: 1.2 (mole basis)
 Feed stage: 25 (above stage)
 Condenser pressure: 1 bar
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EXAMPLE 4.6B: PROBLEM ANALYSIS

Model for solvent recovery distillation column: RADFRAC
Specifications of solvent recovery distillation column:
 Number of stages: 50
 Condenser: partial vapor (distillate in vapor phase)
 Reboiler: kettle
 Valid phase: vapor-liquid-liquid (VLLE is chosen because 3MH
and water in S3 (extract stream) are immiscible)
 Distillate rate: 50 kg/hr
 Reflux ratio: 1.2 (mole basis)
 Feed stage: 25 (above stage)
 Condenser pressure: 1 bar

**In the case of column specfications are not provided, it can be

determined from the simulation using DSTWU
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EXAMPLE 4.6B: PROBLEM SOLVING

 Simulation of solvent recovery distillation column
 Include the Block Radfrac into the flowsheet> Connect block with streams

The distillate
stream must
be connected
to the vapor
distillate
option
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 Include the Block Radfrac into the flowsheet> Connect block with
streams> Insert the column specifications (configuration)
- Partial vapor condenser must be chosen for
distillate in vapor form
- Vapor-liquid-liquid must be chosen for the
feed stream (S3) consisting immiscible 3MH
and water
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 Include the Block Radfrac into the flowsheet> Connect block with
streams> Insert the column specifications (configuration, streams,
pressure, 3-Phase)
- The 3-Phase (Vapor-liquid-liquid) is valid in all
the stages in the column (stage 1-50)

Between the
two immiscible
liquids, 3MH and
Water, Water
the denser liquid
is selected as 2nd
liquid phase
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 Include the Block Radfrac into the flowsheet> Connect block with
streams> Insert the column specifications (configuration, streams,
pressure, 3-Phase)> run simulation
- Dominant top product: ACT
- Dominant bottom product: 3MH
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EXAMPLE 4.6C
 From the economic perspective, the solvent 3MH recovered from the
recovery distillation column (S6 from the flowsheet of Example 4.6B)
needs to be recycled back to the extraction column for reuse purposes.
Prior to recycling back to the extraction column, the solvent 3MH from the
recovery column needs to be:
 Cooled to 30C with cooler operates at 1 bar
 Mixed with the solvent make-up stream (1 bar, 25C and an arbitrary minute flow rate of
1 x10-5 kg/hr)
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EXAMPLE 4.6C: PROBLEM ANALYSIS

 Since S6 comprises of the two immiscible liquids, water and 3MH, valid
phase in cooler and mixer is therefore Vapor-Liquid-Liquid
 Model for cooler: HEATER
 Model for mixer: MIXER
 Flow rate of make-up stream can be manipulated using BALANCE function
based on the flowrate of the recycled stream S6 to give the required
flowrate of solvent to the extraction column (s2)
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EXAMPLE 4.6C: PROBLEM SOLVING

 Simulation of solvent recovery distillation column
 Include the Block HEATER and MIXER into the flowsheet of Example 4.6B> Connect block
with streams
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 Include the Block HEATER and MIXER into the flowsheet of

Example 4.6B> Connect block with streams> Insert the cooler
details
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 Include the Block HEATER and MIXER into the flowsheet of

Example 4.6B> Connect block with streams> Insert the cooler
details> Insert mixer details
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 Include the Block HEATER and MIXER into the flowsheet of

Example 4.6B> Connect block with streams> Insert the cooler
details> Insert mixer details> Insert make-up stream (S8)
specifications
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Include the Block HEATER and MIXER into the flowsheet of

Example 4.6B> Connect block with streams> Insert the cooler
details> Insert mixer details> Insert make-up stream (S8)
specifications> Set up the BALANCE function to manipulate the
flow rate of make-up stream

Click new to
create B1
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 Include the Block HEATER and MIXER into the flowsheet of

Example 4.6B> Connect block with streams> Insert the cooler
details> Insert mixer details> Insert make-up stream (S8)
specifications> Set up the BALANCE function to manipulate the
flow rate of make-up stream> Insert mass balance info in B1

Flow rate of s8
will be
adjusted based
on the mass
balance of
BLOCK MIXER
M-101
+  Include the Block HEATER and MIXER into the flowsheet of
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Example 4.6B> Connect block with streams> Insert the cooler

details> Insert mixer details> Insert make-up stream (S8)
specifications> Set up the BALANCE function to manipulate the
flow rate of make-up stream> Insert mass balance info in B1>
Insert the calculate variable info of B1

The
manipulated
variable is
the total
flow rate of
s8MAKEUP
+  Include the Block HEATER and MIXER into the flowsheet of Example
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4.6B> Connect block with streams> Insert the cooler details> Insert mixer
details> Insert make-up stream (S8) specifications> Set up the BALANCE
function to manipulate the flow rate of make-up stream> Insert mass
balance info in B1> Insert the calculate variable info of B1> run the
simulation - Top product of the extraction column: 25.25 wt% ACT,
74.63 wt% 3MH and trace amount of water
- Bottom product of the recovery column: 99.51 wt%
water
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 Stream results of solvent recovery column, T-102

- Top product of the recovery column: 99.52 wt% ACT
- Bottom product of the recovery column: 99.34 wt%
3MH
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 Cooling duty of T-102: 2067.61 cal/sec

 Heating duty of T-102: 5999.9 cal/sec
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 Cooling duty of E-101= 1449.86 cal/sec

Separation of acetone from water using Extraction column + Recovery column

Total cooling duty: 3517.57 cal/sec (T-102+E-101)
Total heating duty: 5999.9 cal/sec (T-102)
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EXAMPLE 4.6D
 In this example we compare direct distillation column to extraction+recovery column for
the separation of acetone from water. The direct distillation column is with the
specifications as follows:
 Number of stages: 50
 Feed stage: 48
 Condenser: partial vapor
 Condenser pressure: 1 bar
 Valid phase: vapor liquid as does not involve immiscible liquids
 Distillate rate: 50 kg/hr
 Reflux ratio: 5
 Convergence: Strong non-ideal liquid
 Desired top product purity: 99.52 wt% acetone (must match with top product from T-102 for fair
comparison)
 Desired bottom product purity: 99.51 wt% water (must match with bottom product from T-101 for
fair comparison)
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EXAMPLE 4.6D: PROBLEM ANALYSIS

 Feed specifications:
 Water and acetone mixture (50 wt% each)
 Temperature: 25C
 Pressure : 1 bar
 Total flowrate: 100 kg/hr
 Design Spec/Vary must be carry out to obtain the design product purity by varying the
followings:
 Reflux ratio: 0.1 - 20
 Distillate rate: 0.1 - 200 kg/hr
 Go to the Blocks | COLUMN | Convergence | Convergence | Basic sheet.
 Increase Maximum iterations from 25 to 200.
 Enter 1e-7 for Error tolerance.
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EXAMPLE 4.6D: PROBLEM SOLVING

 Create blank simulation> select component> select UNIQ-RK property method> run to
generate properties> shift to simulation tab
 Construct flow sheet> insert block RADFRAC> insert stream> insert feed info> insert block
info> set up design spec/vary sheet> run simulation
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 Stream results
 Top product: ACT with same purity as the one produced by
Extractor+Recovery Distillation Column
 Bottom product: Water with the same purity as the one produced by
Extractor+Recovery Distillation Column
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 Cooling duty of direct distillation column, T-103: 3779.07 cal/sec

 Heating duty of direct distillation column, T-103: 7239.14 cal/sec
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 Comparing heat duties for both approach

Case 1 (Example Case 2 (Example

4.6C; Extractor + 4.6D; Direct
Distillation Distillation
Column) Column)
Total heating duty 5999.9 7239.14
(cal/sec)
Total cooling duty 3517.57 3779.07
(cal/sec)
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EXAMPLE 4.6: CONCLUSIONS

 Based on the simulation results, achieving the same degree of separation
using extraction requires about 16% less heating capacity than direct
distillation.
 It also requires less cooling capacity.
 The reason is that the heat vaporization for 3-methylhexane is significantly
less than that of water.
 Of course, the extraction approach does require more hardware.
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EXERCISE
 Trimethyl-amine (TMA) is to be separated from benzene in a 5-stage liquid-
liquid extraction column using water as the solvent. The feed consists of
50wt% each of TMA and benzene enters the column at 25 C and 1 bar with
a flow rate of 100 kg/hr. While the water solvent flows at a rate of 150 kg/hr
into the column at 30 C and 1 bar. Simulate the process and determine the
product compositions.
 Which is the top and bottom feed?
 Hints: Compare the density of carrier liquid and solvent, if the solvent is
denser then it will be the top feed.
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REVISIT OUTCOMES

Build an extraction and solvent recovery

flowsheet

Configure EXTRACT and RADFRAC blocks

Examine results and compare direct

distillation vs extraction