Task 1: CSTR with cooling Model

Enthalpy of the coolant in the differential for is to be found to complete first task. Enthalpy itself is found
using following equation:

H=U + pV

where:
H- enthalpy of the system [J]
U- internal energy of the system [J]
p- pressure at which system is [Pa]
V- volume of the system [m3]

At the constant volume and pressure enthalpy change is equal to the heat given to the system. The
equation below shows the derivation of this equality.

dH=dU +Vdp+ pdV =dU =q

Heat given to the system or extracted from the system can be calculated using formula below:

QHE =U hcA ( T r T c )
Accumulation when there is no production is equal to the difference between input and output which is
so called mass balance for any open system. Following equation is the energy balance for open system.

( t )
dU
=U hcA[ T r ( t )T c ( t ) ]V c
c p[ T cout T cin ]
dt
M
where :
Uhc - heat transfer coefficient [J/s*m2 *K]
A - heat transfer area [m2]
Vc - volumetric flow rate of cooling agent [m3/s]

- Density of coolant [kg/L]

M - is molar mass [g/mol]

At the constant pressure and volume the expression above is same for the enthalpy change over the
time as internal energy change can be done only by heat given into the system as no work is
done(dV=0).

a) Now it will be clarified how this equation is transformed into a differential equation for the coolant
temperature.

( t )
dU
=U hcA[ T r ( t )T c ( t ) ]V c
c p[ T cout T cin ]
dt
M
Constant volume heat capacity is derivative of internal energy

nc v =

( dU
dT )

Then

dU nc vd T c ( t )
=
dt
dt

V
c vdT ( t )
dU
M
=
dt
dt
Substituting latter in the former we get:

V
c v )d T c (t)
( t )
M
=U hcA[ T r (t )T c (t ) ]V c
c p[ T cout T cin ]
dt
M

d T c (t )
=
dt

U hcA[ T r ( t )T c ( t ) ]V c

( t )
c p[ T cout T cin ]
M

V
c v
M

Task 2: CSTR with cooling Simulation

Here generic balance equation is shown which is different from the one in the previous task by having a
production term.

Accumultion=Input Output + production

As the reaction is first order rate law will be following:

dCA
=k rC A
dt
Where
CA concentration of reactant A
Kr- reaction rate constant

Rate constant depends on temperature and this dependence is mathematically shown by Arrhenius
equation:

k r ( T )=k 0e

(E
RT )

Where:
E- activation energy
k0- pre exponential factor
R-universal gas constant
T-temperature

For A and B this is mostly standard except for the reaction. For A we need the amount of A that is
destroyed by the reaction

react
A

( t ) V d C A
d n react
( t )= A
=
=V k rC A
dt
dt

With this we can formulate the material balance for A

d n A (t )
=C AV C A ( t )V out Vk r [ T ( t ) ] C A ( t )
dt
We obtain the material balance for B:

d nB ( t )
=C B ( t )V out +V k r [ T ( t ) ]C A ( t )
dt

Next we need to derive an equation for the reactor temperature. The procedure is same as in task 1
however in this case we must to take into account exothermic reaction and equation 1.12 becomes:

r
T r ( t )T

Vk r [ T ( t ) ]C A ( t ) h
( t )
U hcA[ T r ( t )T c ( t ) ]V
c p
M
d T r (t)
=
dt
Temperature of the coolant:

d T c (t )
=
dt

U hcA[ T r ( t )T c ( t ) ]V c

( t )
c p[ T cout T cin ]
M

V
c v
M

Figure 1. Simulation of the reactor

As we see concentration of A begin to decrease till certain value. Hence concentration of B increase. In
first 1 minute temperature of reactor reduced by 1K because of initialization of reaction. But then
temperature become stable. Best coolant flow rate was determined by using trial and error method and
calculated 12 L/s.
Task 3: CSTR with cooling and PID Simulation
a)

X (t )=X set + K pe ( t )+ K ie i (t ) + K de d ( t )
Term

Math Function

P proportional

K P e (t)

I integral

K I e (t) dt

D derivative

KD

de ( t )
dt

Effect
The main drive in control loop, reduces a large part of
the overall error
Reduces final error. Summing even a small error over
time produces a drive signal large enough to move the
system to smaller error
Counteracts the KP and KI terms when the output
changes quickly. Reduce overshoot and ringing. No
effect on final error.

X(t) and Xset are manipulated variable and initial value of manipulated variable respectively, and e(t) is
error that can be calculated by equation

e ( t )=Y ( t )Y
Y(t) is controlled variable and Y is set value.
b) From task 1 we see that 12L/s is a good value for starting. Also in problem 3 coolant flow rate
was given 12L/s

c)

Task 4: CSTR with cooling and PID Simulation

a) S

b) S

c) As we see from graph with the new parameter is better than given parameters. Because
settling time is reduced, steady-state error is approximately zero, and rise time also
decrease.