D

Process Dynamics and

Operations Group

Dynamic Simulation

Task 1) Flowsheet decomposition

The flow sheet above shows the process to be modeled.

The educts A and B are fed into the tanks B1 and B2 via the two feed streams. Feed
stream 1 contains only raw material A, feed stream 2 raw material B. In the semi-batchreactor C1 they react to the products C and D. There is an internal heat exchanger
(radiator coil) in the reactor to control the reaction and an external heat exchanger W1
to cool down the products before starting the purification. In the following process step
the mixture is separated by a chromatography column K1. Tank B3 contains the
solvent. The purified components are collected in the product tanks B5 to B7.
Make a system analysis to determine the system border and divide the process into
subsystems for a following process simulation. Consider only the liquid phase and liquid
streams in the process!

Process Dynamics and

Operations Group

Task 2) A mechanical system.

A mechanical system is shown in the figure below. It consists of a pendulum having
mass m hung to a moving mass body M which is further attached to a spring and a
dashpot. An input force u is applied to mass M. is the angular displacement of the
pendulum and x1 is the displacement of the mass M when some input force is applied.
k1 and b1 are the spring and dashpot constants respectively. The pendulum string has a
length l. Let g be the gravitational acceleration acting on them. The contact forces
(equal and opposite) between the pendulum and the mass are also shown in the figure.
Following are the assumptions:
(i) The mass of the spring and the dashpot can be neglected.
(ii) There is no friction between the mass M and the surface.
(iii) There is no elongation of the pendulum string.

The simplified balance equations are given in state representation by

0

0
0

0
0

0
0

1
0

0
0
0

Parameter/Variable
g
k1
b1
l
M
m
u

Process Dynamics and

Operations Group

Value
9.81 m/s
0.4 N/m
0.2 N/(sm)
0.1 m
3 kg
1 kg
5 N

Implement the system in gPROMS and simulate the system for 10 seconds where the
reporting interval is set to 0.1 seconds and all states start at zero. What is final value of
state 2?
Task 3) Polymerization of styrol
In this task the polymerization of styrol to polystyrol is considered. The reaction is taking
place in a batch reactor which is equipped with a jacket (cf. figure 3.1 below). Further on
there exist a heat exchange with the environment.

Figure 3.1 : Batch-polymerization

Figure 3.2 : Exchange of the temperature

Here, only the reactions of polystyrol and the initiator are considered. The balance
equations are given by:

Process Dynamics and

Operations Group

Concentration initiator:
exp

Concentration styrol:
exp

Heat balance reactor temperature:

Heat balance jacket:

a) Make three models with the corresponding interfaces, where the models are for
the
Jacket
Reactor
Environment
Consider that the model for the environment consists only of the outlet of the
temperature.
b) Add a connection type where the only size to be exchanged is the temperature
(cf. figure 3.2).
c) Add a further model and connect the three models.

d) Write the process with the settings given in the table below and simulate the
process for two hours. Copy the curves for the concentrations here.
e) Write a schedule for the following problem.
The process start at 20C and the reactor contains only small traces of the
initiator and an initial concentration of styrol (cS(t=0) = 0.004 mol/m). At first the
reactor is heated up to 85C before the mass flow of the cooling medium is

Process Dynamics and

Operations Group

N
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D
switched on (
80 kg/s) and the initiator is given to the medium (cI(t=ti) = 1
mol/m). Then, the polymerization takes place for 2 hours.

Parameter/
Variable

gPROMS
notation
c_PT
A_TU
A_TR
k_TU
k_TR
k_RU
c_PR
A_RU
E_I
E_s
k_I
k_s
R
DeltaH_R

V_R
m_T
T_in
dotM_J
m_R
T_U
T_J
0
T_R

Description

Value

Specific heat capacity

Area between jacket and
environment
Area between jacket and reactor
Heat transfer coefficient between
reactor and environment
Heat transfer coefficient between
jacket and reactor
Heat transfer coefficient between
reactor and environment

2500 J/(Kkg)
10.5 m

Area between reactor and

environment
Activation energy initiator
Activation energy styrole
Reaction constant initiator
Reaction constant styrol
Gas constant
Reaction enthalpy
Reactor volume
Mass Jacket
Inlet temperature jacket
Mass flow jacket
Mass reactor
Environment temperature
Jacket temperature
Initial jacket temperature
Reactor temperature

800 W/(Km)
50 W/(Km)
3550 J/(Kkg)
1.2 m
135103 J/mol
95560 J/mol
4.281011
21010
8-3145 J/(Kmol)
-67.7103
3 m
800 kg
85 C
80 kg/s
3000 kg
20 C
20 C
20 C

c_I

Initiator concentration

1 mol/m
c_S

10 m
50 W/(Km)

Styrol concentration
0.004 mol/m

Process Dynamics and

Operations Group

Task 4) Simulation of adsorption.

The exhaust air of a biological process is slightly polluted with an organic solvent. This
solvent is removed with unsteady bed adsorption by means of activated carbon.
a) Implement a model of a bed adsorber in gPROMS
The model of a bed adsorber consists of mass balance for the stationary phase (bed of
activated carbon) and the mobile phase (exhaust air) as well as an adsorption of the
Langmuir type.
Intrinsic velocity: u int

4V
d 2

Mass balance for mobile phase:

Y
Y
2Y
1 6
Y YP
u int
Dax 2 k eff
t
z
dP
z

Mass balance for stationary phase:

6
G
Y YP , G (1 P ) X P P YP
k eff
t
dP

Adsorption isotherme (Langmuir): X P

cYP
1 cYP

Notes:

As the adsorption isotherm parameter c is different for air and steam, it should be
declared as a variable.
Enhance your model by the inlet and outlet ports for the gas stream by using the
available connection type. Keep in mind that additional port variables require
additional model equations.
The system is bounded on one side: the mobile phase load for z = 0 must be set
by the inlet ports.
Comment your solution.

b) Create a process enabling you to simulate two adsorption-desorption-cycles of the

adsorber.
At the beginning of the simulation the load of the mobile phase Y and the surface load
of the stationary phase XP are zero. As the polluting solvent strongly interacts with the
activated carbon, it is nearly completely adsorbed in the top layer of a new bed. In the
course of time the adsorption capacity of the top layer is depleted and the solvent

Process Dynamics and

Operations Group

N
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D
penetrates farther into the activated carbon bed, thus causing a moving adsorption
zone. As soon as that zone reaches the adsorber bottom, the solvent load at the outlet
increases remarkably and the adsorber must be regenerated. For this purpose it is
disconnected from exhaust air and flooded by steam ( V 1.5m 3 s 1 , Y 0kg m 3 ) until
virtually complete adsorption can be stated by observing a very low solvent load of the
steam at the adsorber outlet. After drying the adsorber with air it can be reconnected to
exhaust air.
Design a schedule such that adsorption stops as soon as the outlet load exceeds Y =
0.0002 and desorption with steam continues until the outlet load falls below Y = 0.0001
again. The duration of a complete cycle (including drying) is exactly 800 seconds.

Notes:

No flowsheeting is required for this task!

Discretization method: Axial := [CDFM, 2, 150]

c) Implement a flowsheet.
Adsorption shall now be operated continuously. For that
purpose two serial adsorbers (L = 3 m, the rest of
dimensions is the same as in a) and b)) are employed
instead of one. As soon as the adsorption zone leaves the
first column and enters the second one, the first column is
regenerated and dried and then connected to the outlet of
the second column. As soon as the adsorption zone moves
out of the second adsorber into the (originally) first one, the
second adsorber is regenerated and so on.
Implement a flowsheet of this column setup. Write at first
the corresponding models for the splitter and the mixer.
Consider that you have either two or three ports (cf. figure
right). The equations for the splitter are given by,
Vout ,i

Vin
, i 1, , NoOutlet ,
NoOutlet

c out ,i cin , i 1, , NoOutlet .

Where NoOutlet is the number of outlet streams which

corresponds to the number of ports.

Process Dynamics and

Operations Group

The models for the mixer are given by,

Vout

NoInlett

V
i 1

coutVout

in ,i

NoInlet

c
i 1

in ,i

Vin ,i .

Where NoInlet is the number of inlet streams corresponding to the number of ports.
Simulate then the process for 2000 seconds.

Notes:

Use the same notation given in the figure.

Comment your solution.

Symbol
c

Meaning
Langmuir coefficient of the adsorption isotherm

d
dP
Dax

P
G(z,t)
keff
L

Diameter of the bed adsorber

Particle diameter
Axial dispersion coefficient
Void fraction of the bed
Porosity of the particles
Total load of the activated carbon
Effective mass transfer coefficient
Length of the bed adsorber
Ludolph number
Volume flow

Value
1000 (Adsorption)
100 (Desorption)
0.0015 m
0.002 m2/s
0.4
0.6
0.01 m/s
6m
3.1416
1 (Adsorption)
1.5 (Desorption)