LECT 4: BUILDING

PROCESS MODEL
Prof. Ir. Dr. Mohd Sobri Takriff & Dr. Nur Tantiyani Ali Othman
Department of Chemical and Process Engineering
Universiti Kebangsaan Malaysia
BUILDING A PROCESS MODEL
1. Modelling Objectives
2. System Description
3. Identify Applicable Physical & Chemical Conditions
4. System Boundary / Control Volume
5. Conservation Laws
6. Limiting Conditions
7. Solution
8. Analysis & Interpretation
 PROCESS MODELLING SEQUENCE
1. Clear on the Objectives of Process Modeling
– What are the expected outcomes to be achieved
– Decision on how detailed the model system
must be
– Classify the real purpose of the model by :-
i. Explaining trends
ii. Predictive tools
iii. Design purpose
iv. Steady state or dynamic response
 PROCESS MODELLING SEQUENCE
2. Has Qualitative Description of the System
a. Draw / sketch the system
b. Identify important dependent & independent
variables
c. List the parameters (physical properties, size,
shape, constants, etc.) that are expected to be
important.
 Take note on non-constant parameters such as viscosity and
density.
PROCESS MODELLING SEQUENCE
3. Bringing together at the Applicable Physical
& Chemical Information
o A series of critical decision in converting mental
images into symbols
4. Setting down the Control Volume
(Differential Element)
5. Applying the Conservation Laws :-
o Mass balance
o Energy balance
o Momentum balance
o Etc.
PROCESS MODELLING SEQUENCE
6. Identify the Limiting Conditions
oInitial conditions
oBoundary conditions
oApply necessary limits to produce differential
equation, which describes the system
7. Sought of an appropriate Mathematical
Solution
8. Interpretation
oValid representation of the actual process?
 Example 1- FLOW IN A CYLINDER
(plug flow model)
• Purpose - To predict the temperature of a
warm fluid that is cooled of as it flows along
a pipeline.
 Example 1
• Assumptions
– steady state condition
– constant physical properties -> ρ, µ, CP, k, etc.
– constant wall temperature, Tw
– Constant & uniform inlet temperature, To>Tw
– Plug shaped or flat velocity profile
– Well mixed fluid, so temperature is uniform in radial
direction
– Small heat conduction along axis relative to convection
 Example 1
• Transpose the 2D figure to the control
volume system
 Example 1
• Heat balance in the control volume
rate of heat  rate of  rate of  rate of heat 
= − +
accumulation  heat in  heat out   generation or loss 
       

• For steady state system

rate of  rate of  rate of heat 
heat out  − heat in  −  loss =0
     
 Example 1
• Heat entering the system is the product of
mass flow rate & the local enthalpy at
position z
(vo AρC P )T z
• Heat leaving the system is the product of
mass flow rate & the local enthalpy at
position z+∆z
(vo AρCP )T z + ∆z
 Example 1
• Heat loss via the wall is given by the Newton’s
law of cooling
− 
(2πR∆z )h T − Tw 
 
• Integral balance
− 
(vo AρC P )T z − (vo AρC P )T z + ∆z − (2πR∆z )h T − Tw  = 0
 
 Example 1
• Rearrangement and division by ∆z
T z + ∆z
−T z − 
− v o AρC P − 2πRh T − Tw  = 0
∆z  

• Taking the limit of ∆z→0

dT − 
v o AρC P + 2πRh T − Tw  = 0
dz  
• It can be solved by taking an initial parameter
& state the variables
 MODEL HIERARCHY
• Model complexity depends on
 its scope
 depth of decision making process

• Complexity level is termed & known

as the model hierarchy
 Example 2
• Reconsider Example 1 for laminar flow
conditions
• Parabolic velocity profile & inefficient mixing
is the properties of laminar flow regime.
• The general velocity profile for laminar flow
regime is shown as
  r 2 
v z = 2v 0 1 −   
  R  
 Example 2
Assumptions
o Steady state condition
o Constant physical properties -> ρ, µ, CP, k, etc.
o Constant wall temperature, Tw
o Constant & uniform inlet temperature, To>Tw
o Parabolic shaped velocity profile in the radial direction
o Fluid no well mixed in the radial direction, so radial
heat conduction must be taken into account.
o Smaller heat convection, axial heat conduction may be
important.
 Example 2
The control volume now takes the shape of a ring with a
thickness of ∆r and length ∆z as shown in figure below.

In this control volume, the heat cross two surfaces, namely

o the annular area normal to the fluid flow direction.
o the area along the perimeter to the ring.
∂ 2 T 1 ∂  ∂T    r 2  ∂T
k 2 k r = 2 v ρ  1 −    C
r ∂r  ∂r 
0 p
∂z   R   ∂z
 Example 2
• Heat enters & leaves in z direction is given by

• Heat enters & leaves in r direction is given by

 Example 2
• Thus, the heat balance equation is

• Dividing with & taking limits of ∆z→0 &

∆r→0
 Example 2
• Heat conduction based on Fourier’s law

• Velocity profile

• Energy balance

• It can be solved by taking an initial parameter

& state the variables
 Example 3
Component A is reacted to produce component B in a CSTR.
The chemical reaction A → B occurs in the CSTR at a rate of
rA = kC A kgmol/m3.s where

 − Ea 
k = k o exp 
 RT 

o The feed stream is fed into the CSTR at a rate of Fin

(m3/s) and initial concentration of Cin (kgmol/m3).
o The outlet from the CSTR is at a rate of Fout (m3/s).
o For situation where heating is required by flowing
heating medium through a jacket, the heating fluid is
fed at a rate of FJacket.
 Example 3: Model Hierarchy
(Level 1)
o Constant physical properties (Cp, ρ, µ, etc.)
o Constant temperature
o Constant reaction rate
o Tfeed =TRxn
 Example 3: Model Hierarchy
(Level 1)
• Overall mass balance
 Example 3: Model Hierarchy
(Level 1)
• Component mass balance
 Example 3: Model Hierarchy
(Level 2)
o Constant physical properties (Cp, ρ, µ, etc.)
o Equipped with heating coil
o Constant reaction rate
o TFeed ≠TRxn
 Example 3: Model Hierarchy
(Level 2)
• Overall mass balance
 Example 3: Model Hierarchy
(Level 2)
• Component mass balance
 Example 3: Model Hierarchy
(Level 3)
• Heat balance
rate of heat  rate of  rate of  rate of heat 
accumulation  = heat in  − heat out  +  generation or loss 
       

• Assume heat of reaction

• Thus, the heat balance is

 Example 3: Model Hierarchy
(Level 3)
o Constant physical properties for both reactor contents &
heating fluid in the jacket (Cp, ρ, µ, etc.)
o Jacketed CSTR
o Constant reaction rate
o TFeed ≠TRxn
 Example 3: Model Hierarchy
(Level 3)
• Overall mass balance
 Example 3: Model Hierarchy
(Level 3)
• Component mass balance
 Example 3: Model Hierarchy
(Level 4)
o Constant physical properties for both reactor contents &
heating fluid in the jacket (Cp, ρ, µ, etc.)
o Reaction rate varies with temperature
o Jacketed CSTR
o TFeed ≠TRxn
 Example 3: Model Hierarchy
(Level 4)
• Overall mass balance
 Example 3: Model Hierarchy
(Level 4)
• Component mass balance
 Example 3: Model Hierarchy
(Level 4)
• Heat balance
rate of heat  rate of  rate of  rate of heat 
accumulation  = heat in  − heat out  +  generation or loss 
       

• Heat balance in reactor

– Assume heat of reaction & heat from Jacket
 Example 3: Model Hierarchy
(Level 4)
• Heat balance in jacket
 Example 3: Model Hierarchy
(Level 5)
o Physical properties for both reactor contents & heating
fluid in the jacket (Cp, ρ, µ, etc.) changes with T & P
o Reaction rate varies with temperature
o Jacketed CSTR
o Tfeed ≠trxn
 Example 3: Model Hierarchy
(Level 5)
• Overall mass balance
 Example 3: Model Hierarchy
(Level 5)
• Component mass balance
 Example 3: Model Hierarchy
(Level 5)
• Heat balance
rate of heat  rate of  rate of  rate of heat 
= − +
accumulation  heat in  heat out   generation or loss 
       

• Heat balance in reactor

– Assume heat of reaction & heat from Jacket
 Example 3: Model Hierarchy
(Level 5)
• Heat balance in jacket
 Example 3: Model Hierarchy
(Level 5)
• Property estimation
– Heat capacity

– Vapor pressure

– Viscosity
 Example 3: Model Hierarchy
(Level 5)
• Property estimation
Density – Peng Robinson Equation of State

• It can be solved by taking an initial parameter &

state the variables