CH3133 - Modelling, Simulation and Optimisation for Chemical Engineering

LECTURE 07 – WEEK 07
PROCESS SIMULATION TOOLS
(HYSYS / ASPENPLUS)
Ho Chi Minh City University of technology

Lecturer: Aqsha, Khoa Ta Dang

Ho Chi Minh City University of technology
Institut Teknologi Bandung
2023
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LAST WEEK MATERIAL
Modelling Distillation
SEMI-BATCH REACTOR

Source: ITB Lecture Notes

BINARY DISTILLATIONS

Source: ITB Lecture Notes

BINARY DISTILLATIONS
For any separation process, key performance that stringently need to be
monitored are the purity of the desired product and their losses. Hence,
monitoring the components composition is crucial. Moreover, distillation
is dependent on the volatility of the mixture and controlling/monitoring
the reboiler and condenser is crucial.

OBJECTIVES
1. To develop model that represent mole composition changes in each
distillation stage, distillate product and bottom product
2. To develop energy model for condenser and reboiler

Source: ITB Lecture Notes

BINARY DISTILLATIONS
ASSUMPTIONS

Source: ITB Lecture Notes

BINARY DISTILLATIONS
FV, yA,V, yB,V

ND Qout
Stage-7 FD
(rectifying) xA,D
FR, xA,D, xB,D xB,D
Stage-6

Stage-5
FF
xA,f Stage-4
xB,f
Stage-3

Stage-2
Frb, yA,rb, yB,rb
Stage-1
(stripping)

FB
NB xA,B
F1, xA,1, xB,1 xB,B
Qin
Source: ITB Lecture Notes
BINARY DISTILLATIONS
FV, yA,V, yB,V

ND Qout
FD
7 V7 xA,D
FR, xA,D, xB,D xB,D
6 L7 V6

5
xA,5, xB,5 Where:
L6 V5 yA,5, yB,5, • FF, FD, FB = total molar flowrate (mole/time) for feed,
FF distillate and bottom, respectively
4 xA,4, xB,4
xA,f L5 yA,4, yB,4, • Ln = total molar flowrate of liquid at stage n
V4
xB,f • Vn = total molar flowrate of vapor at stage n
xA,3, xB,3 • xi,f = mole fraction of component i in feed (F)
3 L4 V3 yA,3, yB,3,
• yi,D = mole fraction (vapor) of component i in distillate (D)
• xi,B = mole fraction (liquid) of component i in bottom (B)
2 L3 • xi,n = liquid molar fraction of species i at stage n
V2
Frb, yA,rb, yB,rb • yi,n = vapor molar fraction of species i at stage n
1
L2 V1

L1
FB
NB xA,B
F1, xA,1, xB,1 xB,B
Qin
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Condenser Section (full condenser)
Component i balance (i = A, B)
FV
𝑑(𝑁𝐷 ∙ 𝑥𝑖,𝐷 )
yA,V = 𝐹𝑉 𝑦𝑖,𝑉 − 𝐹𝑅 𝑥𝑖,𝐷 − 𝐹𝐷 𝑥𝑖,𝐷
yB,V 𝑑𝑡
Simplify:
ND Qout
𝑑𝑁𝐷
= 0 (constant liquid holdup, ND = constant)
FR FD 𝑑𝑡
Reflux
xA,D xA,D
𝑑𝑥𝑖,𝐷 𝐹𝑉
xB,D xB,D = (𝑦 − 𝑥𝑖,𝐷 )
𝑑𝑡 𝑁𝐷 𝑖,𝑉
Note:
Substitute reflux ratio
• The liquid fraction of A and B is same for in
distillate stream (D) and reflux stream (R) 𝐹𝑅 𝐹𝑉 − 𝐹𝐷
• Perfect liquid mixing, composition inside tray is 𝑅= =
𝐹𝐷 𝐹𝐷
same as overflow composition: xcond = Xi,D
• Constant liquid holdup (dN/dt = 0)
𝐹𝑉 = 𝐹𝐷 (𝑅 + 1)
Total component (mole) balance
𝑑𝑁𝐷 𝑑𝑥𝑖,𝐷 𝐹𝐷 (𝑅 + 1)
= 𝐹𝑉 − 𝐹𝑅 − 𝐹𝐷 = 0 = (𝑦𝑖,𝑉 − 𝑥𝑖,𝐷 )
𝑑𝑡 𝑑𝑡 𝑁𝐷
𝐹𝑉 = 𝐹𝑅 + 𝐹𝐷
Source: ITB Lecture Notes
BINARY DISTILLATIONS

Source: ITB Lecture Notes

BINARY DISTILLATIONS
Condenser Section (partial condenser)
FV 𝑑(𝑁𝐷 ∙ 𝐻𝐷 𝐿 )
yA,V FD = 𝐹𝑉 𝐻𝑉 𝑉 − 𝐹𝐷 𝐻𝐷 𝑉 − 𝐹𝑅 𝐻𝐷 𝐿 − 𝑄𝑜𝑢𝑡
yA,D 𝑑𝑡
yB,V
yB,D Steady-state:
ND Qout 𝐹𝑉 = 𝐹𝐷 (𝑅 + 1)
FR 𝐹𝑅 = 𝐹𝐷 𝑅
Reflux
xA,D
xB,D 𝑄𝑜𝑢𝑡 = 𝐹𝐷 (𝑅 + 1)𝐻𝑉 𝑉 − 𝑅𝐻𝐷 𝑉 − 𝐻𝐷 𝐿

Reboiler Section

Frb 𝑑(𝑁𝐵 ∙ 𝐻𝐵 𝐿 )
yA,rb = 𝐹1 𝐻1 𝐿 − 𝐹𝑟𝑏 𝐻𝑟𝑏 𝑉 − 𝐹𝐵 𝐻𝐵 𝐿 + 𝑄𝑖𝑛
𝑑𝑡
yB,rb
Steady-state:

F1 FB
xA,1 NB xA,B 𝑄𝑖𝑛 = 𝐹𝐵 (𝐵 + 1)𝐻1 𝑉 − 𝐵𝐻𝑟𝑏 𝑉 − 𝐻𝐵 𝐿
xB,1 xB,B
Qin
Source: ITB Lecture Notes
MODEL SUMMARY

Source: ITB Lecture Notes

THIS WEEK+ MATERIAL
Modelling Distillation
ASPEN PLUS/HYSYS TRAINING
SESSION 1 – An Introduction

AQSHA
TEKNIK KIMIA, TEKNIK BIOENERGI & KEMURGI
INSTITUT TEKNOLOGI BANDUNG, INDONESIA
AQSHA@ITB.AC.ID

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MODELLING/SIMULATION

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MODELLING/SIMULATION

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SIMULATION
A simulation is a model that mimics the operation of an existing or
proposed system, providing evidence for decision-making by being
able to test different scenarios or process changes.

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SIMULATION

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SOFTWARE PACKAGES

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SIMULATION

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ASPENPlus FEATURES
§ Massive database (known as Aspen Properties) containing physical
property information on hundreds of thousands of chemicals
§ Collection of mathematical models (properties, equipments)
§ Generic applications with many different chemicals
§ Output: conversions, efficiencies, performance criteria, output
conditions, energy usage, and costs
§ Estimate the capital costs of a piece of equipment

GARBAGE IN à GARBAGE OUT

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ASPENPlus MAIN WINDOW

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STEPS in ASPENPlus
§ Start new Simulation
§ Add chemicals/components
§ Define NC components
§ Choose physical properties
§ Insert unit operations
§ Connect the streams
§ Enter block parameters
§ Set the conditions and streams
§ Successfully execute the simulation

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ASPENPlus Sequences

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ASPENPlus Sequences

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ASPENPlus Sequences

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ASPENPlus Sequences

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ASPENPlus Sequences

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ASPENPlus REACTOR TYPE

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HYSYS Characteristics
HYSYS.Process = Steady State Simulator
• Windows based program
• Flowsheet and object oriented
• Event driven
• Modular operations, each operation is solved independently
• Non-sequential solving algorithm

HYSYS.Dynamic = Dynamic simulator

• HYSYS.Dynamic uses directly the models from HYSYS.Process

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HYSYS Steady State Sim
• Based on components
• Material Balance
• Component Balance
• Energy Balance
• Equilibrium information (Thermodynamic information is
required) VLE / VLLE.
• Pressure drop is a data
• Accumulation = 0, we do not need any info regarding the
sizing of the equipment

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HYSYS Steady State Sim
Basis Environment (container for all the thermo. info.)
Select a fluid package(s)
Oil Environment (focused on Oil modeling)

Simulation Environment – PFD (process flow diagram)

Main Flowsheet
Sub-Flowsheet
Column Environment (each column added in the PFD contains a sub-
flowsheet)

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HYSYS INTERFACE

Start Hysys & Create a new case

Simulation
Environment Basis Environment

How to know where I am ?

Sub - Flow Sheet

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HYSYS INTERFACE
FPM: Hyprotech Database
Hyprotech thermodynamic engine
• Fluid package Set of
thermo-physical
property
calculations
List of Property
components Package
(1500) Binary interaction
for
LV equilibrium

(16000)

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HYSYS Property Package
Equations of State (EOS)
• PR, PRSV, SRK, MBWR, ZJ, KD, LKP

Activity Models
• Margules, van Laar, Wilson, NRTL, UNIQUAC

Others
• Chao-Seader
• Vapor pressure models
• ASME Steam
• Amines
• some empirical models
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HYSYS Property Package
Type of System Recommended Property Package
TEG Dehydration PR
Sour Water PR, Sour PR
Cryogenic Gas Processing PR, PRSV
Air Separation PR, PRSV
Atmospheric Crude Towers PR, PR Options, GS
Vacuum Towers PR, PR Options, GS<10mmHg, BK10, Esso K
Ethylene Towers Lee Kesler Ploker
High H2 Systems PR, ZJ or GS
Reservoir Systems PR, PR Options
Steam Systems Steam Package, CS or GS
Hydrate Inhibition PR
Chemical Systems Activity Models, PRSV
HF Alkylation PRSV, NRTL
TEG Dehydration with Aromatics PR

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HYSYS EOS (Equation of State)
EOS reliable in predicting properties of most hydrocarbon based fluids over a
large range of operating conditions
Their application has been limited to primarily non-polar or slightly polar
components
Polar or non-ideal chemical systems have traditionally been handled using dual
model approaches

USE Hypo Component

A hypothetical component can be used to model non-library components,
defined mixtures, undefined mixtures, or solids
The minimum information required for defining a hypo is the Normal Boiling Pt
or the Ideal Liq Density and Molecular Weight
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FLASH Calculation
A Flash calculation is the estimation of the thermodynamic
properties of a process stream.

HYSYS can perform a Flash when:

1.- Composition is known.

2.- A couple of these variables is known: VF, T, P, H, S.

One of them must be T or P in order to estimate the rest.
FLASH Calculation

• Dew point calculations

• Bubble point calculations
Vapor Pressure
Fraction
Molar Enthalpy VF
T
Temperature
P
H
S
FLASH Calculation
Envelope Utility
Permits to show the different phase
regions of a process streams. The
Phase-Envelope can be plotted
using several diagrams: P-H, P-T,…
This Envelope is calculated on a dry
basis, you must be careful when
applying the utility to mixtures
containing H2O or any other
component which can form a
second liquid phase

The Envelope utility is restricted to the Peng-Robinson and SRK equations of state.
HANDS-ON
Use Hysys and create a simple model of water only stream.
A pipe line of water supply.
Condition: 25oC, 10 bar, 1000 kg/h
The stream will be splitted into 2 streams that goes into the city (30%)
and for irrigation (70%).

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HANDS-ON
Use Hysys and create a simple model to determine the bubble point
and dew point of hexane at 1 atm and 2 atm

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HANDS-ON
Use Hysys and create a simple model to determine the bubble
pressure at 400 K and the mixture composition of first vapor (phase)
formed. The mixture consist of 60% pentane and 40% hexane.

Please also determine the bubble point temperature at 10 bar.

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HANDS-ON
Use Hysys and create a simple model to perform flash operation.
A feed stream F will be flashed into Liquid product L and Vapor
product V. A feed consist of 50% pentane, 30% hexane, and 20%
cyclohexane. Flash tank condition are at 390 K and 5 Bar. Determine
product split and its composition.

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PLEASE CONTACT ME!

AQSHA
Assistant (Research) Professor
Dept. of Bioenergy Engineering & Chemurgy
Dept. of Chemical Engineering
Institut Teknologi Bandung, Indonesia

Waste to Energy Conversion | Biofuel & Bio-based Product Development |

CCS/BECCS | Biomimicry Catalyst | Thermochemical Conversion

Cell/WA: +62 813 888 70350 | aqsha@itb.ac.id | aqsha.edu@gmail.com

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