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H83PDC H83PDC H83PDC H83PDC - Process Process Process Process Dynamic & Control Dynamic & Control Dynamic & Control Dynamic & Control

The document discusses mathematical modeling of chemical processes. It begins by outlining the lecture, which will cover deriving dynamic models from physical and chemical principles. These principles include mass and energy balances, heat and mass transfer equations, and thermodynamics. The models take the form of differential equations and can be solved numerically. Two examples are then presented: a blending process model derived from mass and component balances, and a stirred-tank heating model derived from an energy balance equation. The lecture aims to teach students how to model the dynamics of simple unit operations.

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Zakariya Mohamed
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66 views

H83PDC H83PDC H83PDC H83PDC - Process Process Process Process Dynamic & Control Dynamic & Control Dynamic & Control Dynamic & Control

The document discusses mathematical modeling of chemical processes. It begins by outlining the lecture, which will cover deriving dynamic models from physical and chemical principles. These principles include mass and energy balances, heat and mass transfer equations, and thermodynamics. The models take the form of differential equations and can be solved numerically. Two examples are then presented: a blending process model derived from mass and component balances, and a stirred-tank heating model derived from an energy balance equation. The lecture aims to teach students how to model the dynamics of simple unit operations.

Uploaded by

Zakariya Mohamed
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
You are on page 1/ 17

H83PDC Process

Dynamic & Control


Lecture 2
Mathematical Modelling of
Chemical Processes

Lecture Outline


Derivation of dynamic models of chemical


processes

H83PDC Process Dynamic & Control

Lecture 2 - 2

Mathematical Model


Mathematical equations that describe/


represent the unsteady-state behaviour of a
system
Theoretical
Model
Empirical
Model

Semi-empirical
Model

H83PDC Process Dynamic & Control

Lecture 2 - 3

Dynamic Process Models




Derive from physical & chemical principles




Mass & energy balances (conservation laws)

Heat, mass, momentum transfer

Thermodynamics, chemical kinetics

Physical property relationships

Consist of ordinary differential equations (ODE), partial


differential equations (PDE), algebraic relations

Can be solved numerically using computer simulation

H83PDC Process Dynamic & Control

Lecture 2 - 4

Improve
understanding
of the process

Optimize
process
operating
conditions

Process
Models

Train plant
operating
personal

Develop a
control
strategy for a
new process
H83PDC Process Dynamic & Control

Lecture 2 - 5

Conservation Laws
Theoretical models of chemical processes are based on
conservation laws


Conservation of Mass
rate of mass rate of mass rate of mass

(2-6)
in
out
accumulation

Conservation of Component i
rate of component i rate of component i

accumulation
in

rate of component i rate of component i

out
produced

H83PDC Process Dynamic & Control

(2-7)
Lecture 2 - 6

Conservation of Energy
The general law of energy conservation is also called the First
Law of Thermodynamics. It can be expressed as:
rate of energy rate of energy in rate of energy out

accumulation
by
convection
by
convection

net rate of work


net rate of heat addition

+ to the system from + performed on the system


the surroundings by the surroundings

(2-8)

The total energy of a thermodynamic system, Utot, is the sum


of its internal energy, kinetic energy, and potential energy:
U tot = U int + U KE + U PE
H83PDC Process Dynamic & Control

(2-9)
Lecture 2 - 7

Development of Dynamic Models


Example (1): A Blending Process

An unsteady-state mass balance for the blending system:


rate of accumulation rate of rate of
(2-1)

of mass in the tank mass in mass out


H83PDC Process Dynamic & Control

Lecture 2 - 8

d (V )
dt

= w1 + w2 w

(2-2)

where w1, w2, and w are mass flow rates.

The unsteady-state component balance is:


d (Vx )
= w1x1 + w2 x2 wx
(2-3)
dt
Steady-state material balance:
 Overall balance

Component balance

H83PDC Process Dynamic & Control

Lecture 2 - 9

Simplify the dynamic model by assuming perfect mixing


and that the density of the liquid () is a constant.
For constant ,

dV
= w1 + w2 w
dt

d (Vx )
dt

= w1 x1 + w2 x2 wx

(2-12)

(2-13)

Equation 2-13 can be simplified by expanding the


accumulation term using the chain rule for differentiation
of a product:
d (Vx )
dx
dV

= V
+ x
(2-14)
dt
dt
dt
H83PDC Process Dynamic & Control

Lecture 2 - 10

Substitution of (2-14) into (2-13) gives:


dx
dV
V + x
= w1 x1 + w2 x2 wx
dt
dt

(2-15)

Substitution of the mass balance in (2-12) for dV/dt


in (2-15) gives:
dx
V + x ( w1 + w2 w ) = w1x1 + w2 x2 wx
(2-16)
dt
After canceling common terms and rearranging (2-12) &
(2-16), a more convenient model form is obtained:
dV 1
= ( w1 + w2 w )
(2-17)
dt
w2
dx w1
(2-18)
=
( x1 x ) + ( x2 x )
dt V
V
H83PDC Process Dynamic & Control

Lecture 2 - 11

Example (2): Stirred-Tank Heating Process (Constant Holdup)

Stirred-tank heating process with constant holdup, V


Assumptions:
1. Perfect mixing The exit T is also the temperature of the tank contents.
2. Liquid holdup V is constant because the inlet & outlet flow rates are equal.
3. The density and heat capacity C of the liquid are assumed to be constant.
4.

Their temperature dependence is neglected.


Heat losses are negligible.
H83PDC Process Dynamic & Control

Lecture 2 - 12

Assuming:
 Changes in potential energy and kinetic energy can be neglected
because they are small in comparison with changes in internal
energy.
 The net rate of work can be neglected because it is small
compared to the rates of heat transfer and convection.
Energy balance:

)
dU int
= wH + Q
dt

U int = the internal energy of


the system

)
H = enthalpy per unit mass
w = mass flow rate
Q = rate of heat transfer to the system

(2-10)
= denotes the difference
between outlet and inlet
conditions of the flowing
streams; therefore
)
- wH = rate of enthalpy of the inlet
stream(s) - the enthalpy
of the outlet stream(s)

( )

H83PDC Process Dynamic & Control

Lecture 2 - 13






For a pure liquid at low or moderate pressures, the internal


energy is approximately equal to the enthalpy, Uint H
H depends only on temperature
We can assume that Uint = H and int = where the caret (^)
means per unit mass
A differential change in temperature, dT, produces a
corresponding change in the internal energy per unit mass,

dU int = dH = CdT

(2-29)

where C is the constant pressure heat capacity (assumed to be


constant).


The total internal energy of the liquid in the tank is:

U int = VU int
H83PDC Process Dynamic & Control

(2-30)
Lecture 2 - 14

Expression for the rate of internal energy accumulation can be


derived from Eqs. (2-29) and (2-30):

dU int
dT
= VC
dt
dt


(2-31)

The liquid in the tank is at a temperature T and has an enthalpy,


. Integrating Eq. 2-29 from a reference temperature Tref to T
gives,

H H ref = C T Tref

(2-32)

where ref is the value of at Tref.




Without loss of generality, we assume that ref = 0. Thus,

H = C T Tref

H83PDC Process Dynamic & Control

(2-33)

Lecture 2 - 15

For the inlet stream

H i = C Ti Tref

(2-34)

Substituting (2-33) and (2-34) into the convection term of (2-10)


gives:

wH = w C Ti Tref w C T Tref

( )

(2-35)

Finally, substitution of (2-31) and (2-35) into (2-10)


V C

dT
= wC (Ti T ) + Q
dt

H83PDC Process Dynamic & Control

(2-36)

Lecture 2 - 16

Learning Outcomes
Conservation
laws
ODE, PDE,
algebraic
relation

Types of
model
Ability to
model process
dynamics of
simple unit
operation

H83PDC Process Dynamic & Control

Lecture 2 - 17

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