CH3133 - Modelling, Simulation and Optimisation for Chemical Engineering
LECTURE 06 – WEEK 06
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
2024
Image Souurce: Licdn.com
MULTIPLE REACTIONS
• Series: A→ B→ C
• Parallel: A → D,
A→ U
• Independent: A → B,
C→D
• Complex: A + B →C + D,
A+C →E
Source: ITB Lecture Notes
REACTION IN SERIES
Source: ITB Lecture Notes
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.
Source: ITB Lecture Notes
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)
Source: ITB Lecture Notes
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
Source: ITB Lecture Notes
MOLE BALANCE
Source: ITB Lecture Notes
MOLE BALANCE
Source: ITB Lecture Notes
ENERGY BALANCE
Source: ITB Lecture Notes
ENERGY BALANCE
Source: ITB Lecture Notes
MODEL SUMMARY
Source: ITB Lecture Notes
MODEL ASSESSMENT
Self Assessment:
Batch reactor model
Paracetamol (acetaminophen), C8H9NO2, is produced via an elementary reaction at
310 K as follows:
The exothermic reaction is carried out in batch reactor with p-Aminophenol and
acetic anhydride (in excess) as reactants. Develop models to evaluate the process
over time.
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
A semi-batch reactor allows partial reactants added and/or
partial product removed from the system to allow better control
of reactions
Semi-batch reactors are used when:
1. Performing highly exothermic reaction
2. Minimize formation of undesired product (i.e. high
concentration of one
3. of reactant would allow formation of undesired product)
4. Minimize reversible reaction
Source: ITB Lecture Notes
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!
Source: ITB Lecture Notes
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
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
Vessel height is more measurable than volume Can be further expand as function of
temperature since density are significantly
Source: ITB Lecture Notes affected by temperature
SEMI-BATCH REACTOR
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
MOL BALANCE on B
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
Source: ITB Lecture Notes
MODEL SUMMARY
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
Source: ITB Lecture Notes
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.
Source: ITB Lecture Notes
SEMI-BATCH REACTOR
Source: ITB Lecture Notes
BINARY DISTILLATIONS
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
xA,5, xB,5 Where:
5 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
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
SELF ASSESSMENT
xA,1
xB,1
Source: ITB Lecture Notes
BINARY DISTILLATIONS
SELF ASSESSMENT
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
BINARY DISTILLATIONS
Source: ITB Lecture Notes
MODEL SUMMARY
Source: ITB Lecture Notes
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 42
