CH3133 - Week 06 - Aqsha - Khoa

CH3133 - Modelling, Simulation and Optimisation for Chemical Engineering
LECTURE 05 – WEEK 05
MODELLING REACTORS &
DISTILLATION
Ho Chi Minh City University of technology
Lecturer: Aqsha, Khoa Ta Dang

Ho Chi Minh City University of technology
Institut Teknologi Bandung
2023
Image Souurce: Licdn.com
LAST WEEK MATERIAL
Modelling Reactor
BATCH REACTOR
Source: ITB Lecture Notes

REACTOR TYPES
While continuous reactors (i.e. CSTR, PFR) are preferable for large scale, it does not
offer flexibility in operation.
Batch reactors are used when:

§ manufacturing small volumes of high-value products (i.e. pharmaceutical)
§ product is highly sensitive and regulated (by law)
§ processing slow reactions, so that operating conditions can be easily adjusted.
§ processing solids
In a batch reactor, the reactants are introduced first. and no material is fed or
collected as the reaction proceeds.
After a certain period of time, the operation is stopped and the product is withdrawn.

REACTOR OPERATION

MOL BALANCE
System
Volume
,V
Fj0 Gj Fj
In - Out + Generation = Accumulation

dN A
FA0 - FA + ò r dV
A =
dt
FA0 = Entering molar flow rate of A (mol/time) [mol/s]
FA = Exiting molar flow rate of A (mol/time) [mol/s]
GA = Rate of generation(formation) of A (mol/time) [mol/s]
V = Volume of the system (vol) [m3 or L]
rA = Rate of generation(formation) of A (mol/vol•time) [mol/L.s]
NA = Moles of A inside the system Volume V (mol) [mol]
BATCH REACTOR
dN A
FA 0 - FA + ò rA dV =
dt
FA 0 = FA = 0
dN A Well-Mixed
FA0 - FA + ò rA dV =
dt
ò r dV = r V
A A
dN A
= rAV
dt
BATCH REACTOR
Integrating
dN A
dt =
rAV
when t = 0 N A = N A0
t = t NA = NA
NA
NA
dN A
t= ò
N A0
- rAV
t
t is the time necessary to reduce the number of moles of A from NA0 to NA.
CSTR REACTOR
dN A
FA 0 - FA + ò rA dV =
dt
Steady State dN A
=0
dt
CSTR REACTOR
Perfect mixing (well mixed)
No spatial variation ò r dV = r V
A A
FA 0 - FA + rAV = 0
FA0 - FA v0C A0 - v C A
V= =
- rA - rA
CSTR volume necessary to reduce the molar flow rate from FA0 to FA.
v0C A0 - v C A
Since Fj = Cj • n V=
- rA
PFR REACTOR
DV
FA FA
V V + DV
é In ù éOut ù éGenerationù
êat V ú - êat V + DV ú + êin DV ú=0
ë û ë û ë û
FA V - FA V + DV + rA DV =0
PFR REACTOR
Rearrange and take limit as ΔVà0 FA V - FA V + DV + rA DV =0
FA V +DV - FA V
lim = rA
DV ® 0 DV
dFA
= rA
dV
This is the volume necessary to reduce the entering molar flow rate (mol/s) from
FA0 to the exit molar flow rate of FA.
PFR REACTOR
dN A
FA0 - FA + ò rA dV =
dt
dN A
Steady State =0
dt
FA0 - FA + ò rAdV = 0
PFR REACTOR
Differentiate with respect to volume V
dFA
0- = -rA
dV
dFA
= rA
dV
FA
dFA
The integral form is: V = ò
FA 0
rA
This is the volume necessary to reduce the entering molar flow rate (mol/s) from
FA0 to the exit molar flow rate of FA.
MOL BALANCE

CONVERSION
a A+bB¾ ¾® c C + d D
Choose limiting reactant A as basis of calculation
b c d
A+ B¾
¾® C + D
a a a
Define conversion, X
moles A reacted
X =
moles A fed

MOL BALANCE

POWER LAW MODEL
a b
- rA = kC A CB α order in A
β order in B
Overall Reaction Order = α + β
Power Law Model:

§ A rate law describes the behavior of a reaction.
§ The rate of a reaction is a function of temperature (through the rate
constant) and concentration.

ARHENIUS EQN
k is the specific reaction rate (constant) and is given by the Arrhenius Equation.
where:
k = Ae -E RT
T ®¥ k ® A
k T ®0 k ®0
A » 1013
T

ARHENIUS EQN
k = Ae -E RT
E = Activation Energy(cal/mol)
R = Universal Gas Constant (cal/mol*K)
T = Absolute Reaction Temperature (K)
A = Arhenius Constant (Frequency Factor)
The dimension (unit) of k and A depend on

the reaction order

MULTIPLE REACTIONS
• Series: A→B→C
• Parallel: A → D,
A→U
• Independent: A → B,
C→D
• Complex: A + B →C + D,
A+C→E

REACTION IN SERIES

BATCH REACTOR
In reaction, the goal is to optimize formation of desired product, while maximize
utilization of reactant and minimizing formation of undesired product.
Since concentrations of species inside reactor is measurable (i.e. using liquid
chromatography or other standard method).
Objective 1: to develop model that enable the determination of species

concentration profile.
Objective 2: to develop model that enable the determination of the

temperature inside the reactor.

BATCH REACTOR
ASSUMPTIONS
1. The reactor is well-insulated. Hence, heat

exchange (loss) from reactor to environment is
small and assume to be negligible [ Qloss,env = 0 ]
2. The coolant in rapid flow rate of the coolant
stream. Therefore, an average water coolant
temperature (Tc) is used in the mathematical
model.
3. The saturated steam is supplied and condense.
Hence, the heat transfer due to heat of
condensation by steam at constant temperature
(TH)

BATCH REACTOR
ASSUMPTIONS
4. The reactor contents are perfectly mixed and do

not exhibit significant gradient of species
concentrations or temperature in any part of the
reactor. [ ri dV = ri V ]
5. The overall heat transfer coefficient are assumed
constant for the heating jacket (Uo).
6. Negligible vapor pressure. The species inside the
reactor only existed in liquid
7. Constant heat capacity at operation temperature

MOLE BALANCE

MOLE BALANCE

ENERGY BALANCE

ENERGY BALANCE

MODEL SUMMARY

SEMI-BATCH REACTOR
Consider the following parallel reaction where C is the desired product.
To ensure high selectivity of desired product C, component B is added

partially to the reactor that has been filled with component A. The
reaction mixture is continuously stirred at a fixed rpm. The reactor is
fitted with a cooling coil using chilled water to remove the exothermic
heat of reaction. Develop models to evaluate the process over time!
SEMI-BATCH REACTOR
OBJECTIVES
To develop models that enable the determination of species
concentrations and temperature profile inside the semi-batch reactor.
ASSUMPTIONS
1. The reactor is well-insulated.
2. Average water coolant temperature (TC) in cooling jacket.
3. Perfect mixing
4. The overall heat transfer coefficient of cooling jacket (UC) are
assumed constant.
5. Negligible vapor pressure.
6. Constant heat capacity at the operational temperature range
MODEL SUMMARY

THIS WEEK+ MATERIAL
Modelling Distillation
BINARY DISTILLATIONS
Distillation is a very old separation technology for separating liquid
mixtures based on differences in volatility (the ability to vaporize)
It is an energy intensive process where approximately 60% of energy

used by chemical industry is for distillation
Fractional distillation can be considered as series of flash-vaporization

stages in series Vapor and liquid flow counter-current, hence, the vapor
and liquid is mixed and equilibrated.

SEMI-BATCH REACTOR



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

ASSUMPTIONS

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
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
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
Condenser Section (partial condenser)
FV
yA,V FD
yB,V yA,D Partial condenser is when the overhead product is collected as vapor.
yB,D This occurs when:
ND Qout • The overhead product is desired as vapour
FR • Low boiling point of the overhead product, and complete
Reflux condensation is impractical
xA,D
xB,D
𝑑(𝑁𝐷 ∙ 𝑥𝑖,𝐷 ) subtitute: 𝑑(𝑁𝐷 ∙ 𝑥𝑖,𝐷 )

= 𝐹𝑉 𝑦𝑖,𝑉 − 𝐹𝑅 𝑥𝑖,𝐷 − 𝐹𝐷 𝑦𝑖,𝐷 = 𝐹𝐷 (𝑅 + 1)𝑦𝑖,𝑉 − 𝐹𝐷 𝑅𝑥𝑖,𝐷 − 𝐹𝐷 𝑦𝑖,𝐷
𝑑𝑡 𝑑𝑡
𝐹𝑉 = 𝐹𝐷 (𝑅 + 1)
𝐹𝑅 = 𝐹𝐷 𝑅 Simplify:
𝑑𝑥𝑖,𝐷 𝐹𝐷
= [ (𝑅 + 1)𝑦𝑖,𝑉 − 𝑅𝑥𝑖,𝐷 − 𝑦𝑖,𝐷 ]
𝑑𝑡 𝑁𝐷
Rectifying section (Stage 7)
V7 = FV Total component (mole) balance

yA,7 = yA,V
𝑑𝑁7
yB,7 = yB,V = 𝐹𝑅 + 𝑉6 − 𝐹𝑉 − 𝐿7 = 0
𝑑𝑡
Reflux FR
Stage-7
N7 xA,D
(rectifying)
xB,D
𝑑(𝑁7 ∙ 𝑥𝑖,7 )
Liquid outflow L7 V6 Vapor coming from = 𝐹𝑅 𝑥𝑖,𝐷 + 𝑉6 𝑦𝑖,6 − 𝐹𝑉 𝑦𝑖,𝑉 − 𝐿7 𝑥𝑖,7
bottom stage (stage 6) 𝑑𝑡
from stage 7 xA,7 yA,6
enter rectifying section
xB,7 yB,6 Simplify, where:
Note:
𝑑𝑁7
• Under assumption 100% tray efficiency and = 0 (constant liquid holdup, N7 = constant)
𝑑𝑡
negligible vapor holdup, and constant molal overflow
across stages, V6 = V7 = FV & FR = L7 V6 = V7 = FV
• Perfect liquid mixing, composition inside tray is same FR = L7
as overflow composition: Xtray7 = XA,7
• Constant liquid holdup (dN/dt = 0) 𝑑𝑥𝑖,7 1
= 𝐹 𝑥 − 𝑥𝑖,7 + 𝐹𝑉 (𝑦𝑖,6 − 𝑦𝑖,𝑉 )
𝑑𝑡 𝑁7 𝑅 𝑖,𝐷
Feed tray section (Stage 4)
L5 V4 Total component (mole) balance
xA,5 yA,4
𝑑𝑁4
xB,5 yB,4 = 𝐹𝐹 + 𝐿5 + 𝑉3 − 𝐿4 − 𝑉4 = 0
𝑑𝑡
FF Feed Stage-4
xA,F N4 Component i balance (i = A, B)
(feed)
xB,F
𝑑(𝑁4 ∙ 𝑥𝑖,4 )
= 𝐹𝐹 𝑥𝑖,𝐹 + 𝐿5 𝑥𝑖,5 + 𝑉3 𝑦𝑖,3 − 𝐿4 𝑥𝑖,4 − 𝑉4 𝑦𝑖,4
𝑑𝑡
L4 V3
xA,4 yA,3
xB,4 yB,3 Substitute V3 = V4 = FV & L4 = FF + L5
Note:
• Under assumption 100% tray efficiency and 𝑑(𝑁4 ∙ 𝑥𝑖,4 )
negligible vapor holdup, and constant molal overflow = 𝐹𝐹 𝑥𝑖,𝐹 + 𝐿5 𝑥𝑖,5 + 𝐹𝑉 (𝑦𝑖,3 −𝑦𝑖,4 ) − (𝐹𝐹 + 𝐿5 )𝑥𝑖,4
across stages, V3 = V4 = FV & L4 = FF + L5 𝑑𝑡
• Perfect liquid mixing, composition inside tray is same
as overflow composition: Xtray4 = XA,4 @ xb,4 Substitute total component balance and simplify:
• Constant liquid holdup (dN/dt = 0)
𝑑𝑥𝑖,4 1
= 𝐹 𝑥 − 𝑥𝑖,4 + 𝐿5 𝑥𝑖,5 − 𝑥𝑖,4 + 𝐹𝑉 (𝑦𝑖,3 − 𝑦𝑖,4 )
𝑑𝑡 𝑁4 𝐹 𝑖,𝐹
SELF ASSESSMENT
xA,1
xB,1

SELF ASSESSMENT

Trays below feed tray (Stage 2 & 3)
xA,3 yA,2
xB,3 yB,2 𝑑𝑁2
= 𝐿3 + 𝑉1 − 𝐿2 − 𝑉2 = 0
𝑑𝑡
Stage-2
N2
𝑑(𝑁2 ∙ 𝑥𝑖,2 )
L2 V1 = 𝐿3 𝑥𝑖,3 + 𝑉1 𝑦𝑖,1 − 𝐿2 𝑥𝑖,2 − 𝑉2 𝑦𝑖,2
𝑑𝑡
xA,2 yA,1
Note:
𝑑𝑁2
𝑑𝑡
across stages, V1 = V2 = FV & L2 = L3 = F1 V1 = V2 = FV
• Perfect liquid mixing, composition inside tray is same L2 = L3 = F1
as overflow composition: Xtray2 = Xi,2
𝑑𝑥𝑖,2 1
= 𝐹 𝑥 − 𝑥𝑖,2 + 𝐹𝑉 (𝑦𝑖,1 − 𝑦𝑖,2 )
𝑑𝑡 𝑁2 1 𝑖,3
Trays above feed tray (Stage 5 & 6)
xA,6 yA,5
xB,6 yB,5 𝑑𝑁5
= 𝐿6 + 𝑉4 − 𝐿5 − 𝑉5 = 0
𝑑𝑡
Stage-5
N5
𝑑(𝑁5 ∙ 𝑥𝑖,5 )
L5 V4 = 𝐿6 𝑥𝑖,6 + 𝑉4 𝑦𝑖,4 − 𝐿5 𝑥𝑖,5 − 𝑉5 𝑦𝑖,5
𝑑𝑡
xA,5 yA,4
Note: 𝑑𝑁5
𝑑𝑡
across stages, V4 = V5 = FV & L5 = L6 = FR (reflux) V1 = V2 = FV
• Perfect liquid mixing, composition inside tray is same L5 = L6 = FR
as overflow composition: Xtray2 = Xi,2
𝑑𝑥𝑖,5 1
= 𝐹 𝑥 − 𝑥𝑖,5 + 𝐹𝑉 (𝑦𝑖,4 − 𝑦𝑖,5 )
𝑑𝑡 𝑁5 𝑅 𝑖,6

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
MODEL SUMMARY

ASPEN PLUS/HYSYS TRAINING
SESSION 1 – An Introduction
AQSHA
TEKNIK KIMIA, TEKNIK BIOENERGI & KEMURGI
INSTITUT TEKNOLOGI BANDUNG, INDONESIA
AQSHA@ITB.AC.ID
Image Source: Beston

MODELLING/SIMULATION
Program Studi Teknik Kimia / Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung Image Source: ICAMS
MODELLING/SIMULATION
Program Studi Teknik Kimia / Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung Image Source: https://mse.postech.ac.kr/
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.
Program Studi Teknik Kimia / Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung Image Source:
SIMULATION
Program Studi Teknik Kimia / Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung Image Source: https://academic.hep.com.cn/, Zhou 2022
SOFTWARE PACKAGES
SIMULATION
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
ASPENPlus MAIN WINDOW
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
ASPENPlus Sequences
ASPENPlus Sequences
ASPENPlus Sequences
ASPENPlus Sequences
ASPENPlus Sequences
ASPENPlus REACTOR TYPE
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
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
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)
HYSYS INTERFACE
Start Hysys & Create a new case
Simulation
Environment Basis Environment
How to know where I am ?

Sub - Flow Sheet
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)
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
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
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
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.
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
Program Studi Teknik Kimia, Teknik Pangan, Teknik Bioenergi dan Kemurgi, Institut Teknologi Bandung 81

CH3133 - Week 06 - Aqsha - Khoa

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CH3133 - Week 06 - Aqsha - Khoa

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CH3133 - Modelling, Simulation and Optimisation for Chemical Engineering

Lecturer: Aqsha, Khoa Ta Dang

Source: ITB Lecture Notes

Batch reactors are used when:

Source: ITB Lecture Notes

Source: ITB Lecture Notes

In - Out + Generation = Accumulation

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Power Law Model:

Source: ITB Lecture Notes

Source: ITB Lecture Notes

The dimension (unit) of k and A depend on

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Objective 1: to develop model that enable the determination of species

Objective 2: to develop model that enable the determination of the

Source: ITB Lecture Notes

1. The reactor is well-insulated. Hence, heat

Source: ITB Lecture Notes

4. The reactor contents are perfectly mixed and do

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

To ensure high selectivity of desired product C, component B is added

Source: ITB Lecture Notes

It is an energy intensive process where approximately 60% of energy

Fractional distillation can be considered as series of flash-vaporization

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

𝑑(𝑁𝐷 ∙ 𝑥𝑖,𝐷 ) subtitute: 𝑑(𝑁𝐷 ∙ 𝑥𝑖,𝐷 )

V7 = FV Total component (mole) balance

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Source: ITB Lecture Notes

Image Source: Beston

GARBAGE IN à GARBAGE OUT

HYSYS.Dynamic = Dynamic simulator

Simulation Environment – PFD (process flow diagram)

Start Hysys & Create a new case

How to know where I am ?

USE Hypo Component

HYSYS can perform a Flash when:

1.- Composition is known.

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

• Dew point calculations

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

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

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