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Basic Modelling of Dynamic
Engineering Systems
1.1 Introduction
This chapter
1
presents an introduction to the basic issues of the modelling of dynamic
engineering systems. We will consider the role and use of models from a point of view that
is common in the engineering sciences.
The use of models has a long tradition in science. Yet, there is a diﬀerence in attitude
towards the use and role of models and modelling between the physicists and the engineers.
Consider for example the elementary properties of matter such as speciﬁc heat, viscosity,
or thermal conductivity. A physicist will not be entirely satisﬁed with these concepts
because they are not elementary enough. He will try to explain these concepts in terms of
the properties of more elementary concepts such as molecules, atoms, and electrons. The
engineer is also dissatisﬁed because these concepts in general are too elementary. For most
problems in engineering it is desirable to use these concepts merely as building blocks for
more elaborate concepts, by which the behaviour of larger processes can be explained. Thus
the engineer is interested in discovering the behaviour of macroscopic processes, whereas
the physicist will naturally concentrate upon the microscopic behaviour or will consider
nature at even smaller scale.
In engineering science, models constitute a main formalism for describing our knowledge
about engineering processes and systems. A model basically describes a limited number
of properties of the real world in terms of verbal, graphical, or mathematical language.
With the assistance of models we describe that part of the real world that is thought to be
relevant to the solution of a particular problem or to a class of related problems.
In the sequel, a systematic approach will be developed that enables to formulate dy
namic mathematical models for physical systems and processes. Essentially, there exist
two diﬀerent approaches for obtaining models.
1. Experimental modelling. The use of experimental data, obtained by measuring
and collecting the values of variables of the real system or process during wellplanned
experiments, and through subsequent data processing, should discover systematic
relationships amongst the variables. These relationships are considered as a model.
We further may wish or require this model to be able to explain and predict the
behaviour of the studied system or process. The joint actions of experiment design,
1
sc4032 Physical Modelling for Systems and Control chapter 1 c O.H.Bosgra TUD 20092010
1
2 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
experimental data acquisition, data processing, and model validation are known under
the headings of experimental modelling, empirical modelling or system identiﬁcation.
2. Theoretical modelling. Using the accepted theory of the underlying sciences, equa
tions are derived that describe the basic behaviour of our system or process. In general
the equations involved will be conservation laws or other relations that have been de
rived from ﬁrst principles. Additionally, we need to describe the physical properties
and other relevant descriptions of the materials in the system or process. Thus, the
underlying theories that we accept to build the model are our basic axioms and as
sumptions in the logical process of model construction. This approach will be called
theoretical or fundamental model building. It is also known under the name physical
modelling.
The steps to be followed in experimental model formulation in general require a considerable
amount of a priori knowledge. This a priori knowledge must be brought in a format such
that certain basic decisions regarding variables, experiments, and responses can be taken
with the required conﬁdence. This implies that we must execute certain steps in the process
of theoretical modelling in order have a suﬃcient basis for experimental model formulation.
Thus the second approach can be considered as the natural starting point for any model
building activity. Additionally, in many cases the ﬁrst approach is the natural sequel to
the second approach in the sense that it allows to verify or validate the structure and
parameters in a formulated model, or it may enhance and amplify certain insuﬃciently
understood or incompletely quantiﬁable parts of a fundamental model. In these notes an
approach to theoretical model formulation will be covered. In several cases the connections
with certain aspects of experimental modelling will be discussed.
The process of modelling is widely applied in many ﬁelds in science and engineering.
However, the amount of knowledge available for the formulation of theoretical models is
diﬀerent in the various ﬁelds. In many ﬁelds of engineering there is suﬃcient knowledge
available to formulate simple overall models that describe the behaviour of systems and
processes. However, for example in chemical process engineering the operation of most
chemical process equipment is so complicated that the detailed behaviour of chemical pro
cesses can only in part be described accurately by mathematical models based upon our
present knowledge. Thus there are severe limits in our ability to formulate theoretical mod
els for engineering systems. In many cases the use of experimental modelling techniques is
a requirement that by necessity complements the theoretical approach.
In these notes the formulation of models is aimed at obtaining a description of the
dynamic behaviour of processes under transient conditions. This implies that we will for
mulate the equations of motion of the process variables that describe the evolution of the
process as a function of time. Our models will formulate the process dynamics in a form
as required for the understanding of process operations such as startup and shutdown, or
for studying the transitions from one operating condition to another one as, e.g., required
by grade changes in a production plant or by changes in the composition of the feedstock.
Process dynamic models also are of great importance for providing control engineers with
qualitative and quantitative descriptions of the transient behaviour of processes that are
to be used in model based control system design.
By its proper nature, a model is limited in the sense that the real world is approximated
by deﬁnition. Only those properties and phenomena that are relevant to the purpose of the
model should be included in the model. The real world is so highly detailed, and possesses
a rich complexity, that even a small part of the real world can never be exactly represented
in an isomorphic mapping sense by a single mathematical model, notwithstanding its high
1.2. THE FORMAL STEPS OF THE MODELLING PROCESS 3
number of equations and its great ﬁdelity. Thus the process of model building is funda
mentally a process of making appropriate and clever approximations. This fact forces the
modeller to consider the object of his activity from an overall point of view and from a
certain distance. He must have an overview over the most important physical phenomena
in this object, evaluated from the point of view of the intended use or the foreseen purpose
of the model. The modeller must have an attitude that enables him to make decisions
regarding the most important phenomena to be embodied in the model. For this reason,
we must consider the process of modelling as a decision process.
A model can be deﬁned as a “small representation of a planned or existing object”.
The adjective “small” connotes the central idea that a model is something less than real
ity. Thus, in the sciences, models are sought which illuminate natural phenomena. The
objective is to strip away all phenomena that are not thought to be essential in view of the
intended use of the model. Thus a model must be able to explain those phenomenological
patterns of interest in terms of a set of easily understood elements.
In this context a model is a theory which constitutes a set of propositions or laws
from which may be deduced those facts which are exhibited in the real system or process
under consideration. More fundamentally, a theory must explain the less comprehensive
laws, established by observation of reality, in the sense of introducing ideas which are more
familiar or, in some way, more acceptable. Moreover, theory must predict new laws and
these laws must turn out to be true.
This last notion illustrates sharply the approach that has come to be called the scientiﬁc
method. The scientiﬁc method of establishing an understanding of any physical phenomena
is generally identiﬁed as consisting of the following three phases:
• Initial observation
• Formulation of a theory (in our language, a model)
• Experimentation (model (in)validation) and prediction of new observations (model
use)
The completion of the last stage will in many cases suggest reﬁnements to the theory
(model), and the process is repeated. The emphasis on observations and experiments has
its roots in the empiricist philosophy which has been at the heart of modern science.
1.2 The Formal Steps of the Modelling Process
The scientiﬁc formalization of the approach to modelling sketched in the preceding section
can now be formulated and involves the following main features.
1. Deﬁning the problem. The purpose of the model must be formulated and clariﬁed.
This requires a certain mature familiarity of the modeller with the object to be
modelled. Also an understanding of the future model use will help in deciding which
properties of reality should be represented in the model. In general the modeller
must make decisions regarding the desired degree of detail in the model. Higher
granularity in general implies a higher amount of complexity, and in many cases the
dominant phenomena in the model can be represented with higher accuracy than the
minor details. Representing these details may be counterproductive in terms of the
intended use of the model. Thus unnecessary high detailing should be avoided.
4 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
u(t) y(t)
z(t)
m input
variables
r internal
variables
output
variables
system
surroundings
Figure 1.1: The system concept requiring r independent model equations
2. Deﬁne system boundaries and interconnecting variables. The process of
modelling is aimed at describing only a part of the real world. The system boundary
deﬁnes in its interior the system as opposed to its exterior which are the surroundings.
The modeller himself is part of the surroundings. The system and its surroundings are
coupled through signals which are process variables that originate in the surroundings
or in the system. Those variables that originate in the surroundings and inﬂuence the
system by exerting an action upon the system by passing across the system boundary
are called input variables contained in a vector u(t). We consider these inﬂuences in
a causal fashion, i.e., such that the cause precedes in time the eﬀect. A system is
called causal if past and present internal and/or output variables do not depend on
future input values.
From a modelling point of view there is no distinction between the input variables that
can be manipulated at will, and those input variables that occur in the surroundings
as a result of unmodelled processes or of which the origin or cause is not exactly
known (disturbances). Finally, those variables that are the result of the relationships
within the system and which pass outwards across the system boundary such that they
become available to the surroundings are called the output variables of the system,
contained in the vector y(t). All variables that occur in the system and that are not
included in the set of input variables are called the internal variables, represented
by the vector z(t). See the representation in the ﬁgure 1.1. In general, the total
set of variables in a model setup is the sum of the input variables and the internal
variables. The output variables are to be considered as a subset of this total set of
variables. Note that the formulation of a mathematical model by its very nature
yields a set of variables that constitute the total set of variables mentioned before.
If this total set of variables is available as a result of the initial modelling decisions,
then it is a decision of the modeller to assume which subset of these variables is
speciﬁed by the surroundings and thus constitutes the set of input variables. The
remaining variables are the internal variables. As the input variables are speciﬁed by
the surroundings (i.e., by the modeller), these variables must be considered as known
variables in our problem setup. Then our model must be able to (uniquely) determine
the internal variables, given the input variables. This implies that in general we must
have a number of (independent) model relations that equals the number of internal
variables.
3. Development of a conceptual model. Once the model variables have been pre
liminarily identiﬁed, the next step is the development of a conceptual physical model,
1.2. THE FORMAL STEPS OF THE MODELLING PROCESS 5
containing only those phenomena which are considered as relevant to the intended
use of the model. A thorough knowledge of the physics of the process plus intuition
gained from practical experience is valuable and important in this step. In its most
simple fashion, the conceptual model only consists in the mind of the modeller. The
model can be verbally described, and the relevance of incorporating or neglecting
certain phenomena can be discussed.
4. Formulation of model hypotheses. In this step the real physics in the process
are replaced by a simpliﬁed hypothetical physical representation. The precise as
sumptions needed to arrive at this simpliﬁed representation are to be formulated in a
number of model hypotheses or model assumptions. In a certain sense the predictive
power of the resulting model is reduced by adapting its properties to the speciﬁc
situation at hand. This will be greatly counterbalanced in general by the increase in
model simplicity. The chosen degree of simpliﬁcation determines the character of the
mathematical relationships that will ﬁnally represent the physical phenomena.
5. Decomposition into subsystems. In many cases, a modeller’s intuition can only
keep track of a limited number of phenomena simultaneously. For this reason it can
be beneﬁcial to split up the complete process into a number of parts by formulating
spatial boundaries by which subsystems are created. The interconnection of all sub
systems gives rise to the original system. The subsystems thus deﬁned must satisfy
individually the requirements of a wellposed system. This implies amongst other
things, that the interconnection of the various subsystems should be consistent, the
number of internal variables should be equal to the number of (independent) model
relationships available for each subsystem, and the inputs and outputs of the original
system should be contained in the various inputs and outputs of the subsystems.
6. Formulation of conservation laws and other mathematical equations. The
hypotheses formulated in the previous steps must enable now to write down (if appro
priate) the basic conservation laws for energy, momentum and mass. These equations
will be complemented with rate equations for mass and heat transfer, with descrip
tions of the thermodynamic and other physical properties of the materials in the
process, and with all other fundamental or correlationsbased relationships that are
needed in order to arrive at a physically and mathematically consistent model. The
result is a set of algebraic and diﬀerential equations having a certain mathematical
stucture, and containing a set of parameters that ﬁx the model behaviour quantita
tively.
7. Mathematical simpliﬁcations and approximations. The mathematical model
can be examined for its properties. Certain basic a priori requirements of a model
can be investigated, such as the properties of causality, continuity, and conditioning
with respect to possible numerical implementation for simulation purposes. Also
further properties such as stability, time scales, and independence of the set of model
equations can be established. On the basis of these ﬁndings it can be decided to
simplify or to approximate the mathematical representation of the system.
8. Numerical solution of the model equations, simulation. Further conﬁdence
in the model can be gained by solving the model equations for well considered input
signals (simulation), and by observing the behaviour of the internal and output vari
ables. By exercising with the model in this way, the model can inspire conﬁdence or
the modeller can experience certain weaknesses of the model formulation.
6 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
reality
⇓ ⇐= intended model purpose
process under consideration
⇓ ⇐= select system boundary, inputs, outputs
system and surroundings deﬁned
⇓ ⇐=
determine relevant phenomena
and formulate model hypotheses
conceptually simpliﬁed physical model
⇓ ⇐=
formulate conservation laws
and other model relations
mathematical model having
structure and parameters
⇓ ⇐= mathematical approximations
simpliﬁed mathematical model
⇓ ⇐= experimental model validation
model satisﬁes requirements ?
⇓ =⇒ yes, model ready for use
no, return to previous steps
Table 1.1: Basic decisions in the modelling procedure
9. Validation of the model and its hypotheses. Comparison of predicted model re
sponses and similar responses obtained at the real system may provide the ﬁnal proof
of conﬁdence needed to validate a model. It must be stressed that the experiments
must be representative for the intended purpose of the model.
The main steps of the approach are listed in table 1.1.
1.3 Formulation of Conservation Laws for Process Models
The equations of conservation of some quantity (mass, momentum, energy) are fundamental
laws of nature. These equations apply both in the steady state and under unsteady state
conditions. We ﬁrst will consider macroscopic conservation laws for mass and energy. These
are integral balance equations that are applied to a volume inside a macroscopic control
surface, as opposed to microscopic conservation laws that are formulated for an inﬁnitesimal
or elemental volume.
1.3.1 Conservation of mass
The density and concentration of a chemical species that possibly reacts are often measured
in moles per unit volume. A mole of a species contains Avogadro’s number (6.02 ×10
23
) of
molecules. Moles can be converted to mass units by multiplying by the molar mass which
has units of kg/mole.
Consider a system deﬁned by its (ﬁxed) macroscopic control surface or system boundary S,
enclosing a (macroscopic) volume V as shown in ﬁgure 1.2. Stated verbally, a macroscopic
1.3. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 7
system boundary S
perfectly
mixed
volume V
φ
in
ρ
A
in
φ
out
ρ
A
mass
ﬂow in
mass
ﬂow out
surroundings
Figure 1.2: System boundary for macroscopic mass balance
conservation law for mass for a chemical species A within the volume V reads:
d
dt
Net accumulation
of A in V
=
Net transport
of A through S
+
Net generation
of A in V
(1.1)
Note that the lefthand side of (1.1) speciﬁes the rate of change of mass accumulation
within the control volume V , and not the amount of accumulated mass itself.
Let ρ
A
denote the density of species A, then the accumulation term in the lefthand side
of the equation (1.1) describes the rate of change per unit time of the accumulated mass
of A within the volume V :
d
dt
V
ρ
A
dV (1.2)
This form of the lefthand side allows the density to have varying values over the macro
scopic volume V . In fact the integral expression performs a summation over all elementary
volume parts dV of the contribution of each ρ
A
dV to the total accumulation of mass of
A. This formulation in fact does not reﬂect the overall character of the macroscopic bal
ance and is not practical. In terms of cause and eﬀect, we must consider the righthand
side of equation (1.1) as the cause, creating an eﬀect in terms of a variation of overall
accumulated mass in the lefthand side. Our macroscopic conservation law determines the
overall accumulation and thus does not provide a mechanism to deal with spatially varying
accumulation phenomena. Consequently, the density ρ
A
should be considered as having
the same value over the whole volume V . This can be achieved by assuming that there
exists a physical mechanism that creates so much interchange of material over the volume
V that ρ
A
has virtually the same value over V . One possible assumption is that V behaves
as if it were perfectly mixed. Thus, under the assumption of V being perfectly mixed,
our macroscopic conservation law for mass reads
V
dρ
A
dt
=
¸
k
φ
k
ρ
A
k
+G (1.3)
8 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
h(t)
A
system boundary S
φ
i
(t) φ
o
(t)
Figure 1.3: Fluid buﬀering vessel
where the φ
k
denote the volumetric ﬂows across the boundary S each having density ρ
A
k
,
and G denotes the generation of species A per time unit within V , e.g., as a result of
chemical reaction. In this expression, φ
k
are positive and negative for in and outgoing
ﬂow, respectively. The k is supposed to run over all ﬂows that cross the system boundary.
Note that under the assumption that the volume V behaves as a perfectly or ideally mixed
ﬂuid, the density ρ
A
has the same value over the whole volume V , whereas this value may
vary in time. The assumption of an ideally mixed ﬂuid implies that it is assumed that each
element in the volume V will vary in time in exactly the same fashion. It also implies that
any outward ﬂow across the boundary S has a density that equals ρ
A
. Thus for one ﬂow
in and one ﬂow out, the macroscopic conservation law (1.3) for mass reads
V
dρ
A
dt
= φ
i
ρ
A
i
−φ
o
ρ
A
+G (1.4)
where now the negative sign of the outwardbound ﬂow has been explicitly formulated in
the expression, and thus we consider positive values for the ﬂows in the direction given by
the arrows in ﬁgure 1.3.
While the general principle of the conservation law (1.1) is maintained, the actual equa
tions may have other forms than equation (1.3) or (1.4) depending upon the structure
of the system under consideration. Under the assumption that the density ρ of the ﬂuid
is constant, we still can have variations of accumulated mass within the system, as the
following example shows.
1.3.2 Example: Mass accumulation in vessel
Consider the simple ﬂow system shown in ﬁgure 1.3. The steps to be executed for modelling
this process are as follows.
1. Purpose of the model: To describe the behaviour in time of the ﬂuid level h(t)
varying with the purpose of buﬀering variations in input mass ﬂow
2. System boundary: Around the vessel
3. Variables across boundary: φ
i
, φ
o
, h. As there apparently is no mechanism
inside the system boundary to determine φ
i
and φ
o
, these variables are supposed to
be determined by the surroundings, i.e., φ
i
, φ
o
are inputs and h is output.
1.3. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 9
φ
i
(t)
φ
o
(t)
h(t)
vessel
model
Figure 1.4: Block diagram of inputs and outputs of ﬂuid buﬀering vessel
−
+
φ
i
(t)
φ
o
(t)
h(t)
initial h(0)
1
A
Figure 1.5: Internal structure of model for ﬂuid buﬀering vessel
h(t)
A
system boundary S
φ
i
(t) φ
o
(t)
X(t)
p
i
(t) p
o
(t)
Figure 1.6: Fluid buﬀering vessel with outward ﬂow controlled by valve
10 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
vessel
+
valve
φ
i
(t)
X(t)
h(t)
p
i
(t)
φ
o
(t)
Figure 1.7: Inputs and outputs of ﬂuid buﬀering vessel with outward ﬂow determined by
valve
4. Model hypotheses: the ﬂuid is incompressible; the vessel cross sectional area A is
constant; the velocity of the ﬂuid inside the vessel is slow so that local variations in
ﬂuid level can be ignored.
5. Conservation law: Mass balance
d
dt
(ρAh(t)) = ρφ
i
(t) −ρφ
o
(t) (1.5)
which can be written in diﬀerential equation (state space) form:
dh(t)
dt
=
1
A
φ
i
(t) −
1
A
φ
o
(t), h(0) = h
0
(1.6)
Note that the model (1.6) can be depicted by the block diagram in ﬁgure 1.4 and
by the structural representation in ﬁgure 1.5. Also observe that the system is not
asymptotically stable, as the (open) integrator may give an unbounded response for
bounded inputs. This indicates, that the model represented by equation (1.6) is only
valid for h(t) ≥ 0 and h(t) ≤ h
max
, where h
max
indicates the height of the vessel.
A simulation of this process should include these bounds. If one of the bounds is
reached, the model (1.6) should be replaced by a diﬀerent one, one for the empty
vessel case, and one for the overﬂow case.
6. Model satisﬁes requirements ? In retrospect, at this stage it is useful to re
consider the assumptions and starting points of the modeling exercise, and to make
modiﬁcations if desired. For instance, if in reality the ﬂow φ
o
depends on the value h,
then one might wish to include this relationship in the model. Figure 1.6 represents
the situation where the outgoing ﬂow is determined by the valve opening and by the
pressure diﬀerence across the valve. We assume that the ﬂuid pressure behind the
valve p
o
is atmospheric, as is the pressure above the ﬂuid level. We assume further,
that the ﬂow through the valve is turbulent, proportional to the square root of the
pressure drop across the valve. This pressure drop is proportional to the ﬂuid level.
We have the following 5 variables: φ
i
, φ
o
, p
i
, X, h where X represents the input
command determining valve position. The model now consists of equation (1.6) and
the following two relations:
φ
o
(t) = KA
v
[X(t)]
p
i
(t) (1.7)
p
i
(t) = ρgh(t) (1.8)
where A
v
[X(t)] represents the valve crosssectional area as a function of valve position
X(t), K is the valve coeﬃcient, and g is the gravitational accelleration. Equation
1.3. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 11
−
+
1
A
A
v
(X)
∗
φ
i
(t)
dh(t)
dt
initial h(0)
h(t)
p
i
(t)
ρg
K
A
v
(t)
φ
0
(t)
p
i
(t)
X(t)
Figure 1.8: Internal structure of model of vessel and valve
0 5000 10000 15000
0.8
1
1.2
1.4
1.6
x 10
−3
valve area
m
2
0 5000 10000 15000
0.4
0.5
0.6
0.7
0.8
0.9
1
1.1
level
m
0 5000 10000 15000
0.6
0.8
1
1.2
1.4
1.6
x 10
−3
flow out
time (s) −−>
m
3
/
s
0 5000 10000 15000
4000
5000
6000
7000
8000
9000
10000
11000
valve inlet pressure
N
/
m
2
time (s) −−>
Figure 1.9: Response of ﬂuid buﬀering vessel on step in valve opening
12 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
0 0.5 1 1.5 2
x 10
4
4
6
8
10
12
x 10
−4
flow in
m
3
/
s
0 0.5 1 1.5 2
x 10
4
0.2
0.4
0.6
0.8
1
level
m
0 0.5 1 1.5 2
x 10
4
4
6
8
10
12
x 10
−4
flow out
time (s) −−>
m
3
/
s
0 0.5 1 1.5 2
x 10
4
2000
4000
6000
8000
10000
valve inlet pressure
N
/
m
2
time (s) −−>
Figure 1.10: Response of ﬂuid buﬀering vessel on step in inlet ﬂow, valve opening ﬁxed
0 5000 10000 15000
0
1
2
3
x 10
−3
flow in
m
3
/
s
0 5000 10000 15000
0.5
1
1.5
level
time (s)
m
0 5000 10000 15000
0
1
2
3
x 10
−3
flow out
m
3
/
s
Figure 1.11: Buﬀering vessel: response on stochastic inlet ﬂow variations, valve opening
ﬁxed
1.3. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 13
(1.7) represents the ﬂow through the valve and equation (1.8) determines the actual
pressure drop across the valve. We have 5 internal variables and 3 model relations,
thus two variables should act as inputs, i.e., are assumed to be determined by the
surroundings of the process. As φ
o
, p
i
, and h are determined by the model relations,
we can assume φ
i
and X to be input variables. This is in accordance with our physical
imagination. The block diagram with input and output variables, and an internal
representation of the model structure are given in ﬁgures 1.7 and 1.8, respectively.
The following observations can be made:
• Comparing ﬁgure 1.5 with ﬁgure 1.8, we see that the representation of the con
servation law represented in ﬁgure 1.5 is contained in ﬁgure 1.8. However, now
there is a feedback loop around the integrator.
• The sign of the feedback path is such that an increase in accumulation of mass
will increase the outﬂow of mass, i.e., there is negative feedback.
• Thus we may expect that the system will be asymptotically stabilized by the
feedback relationship. This implies that a permanent change in inﬂow φ
i
or
valve position X(t) will lead to new equilibrium values for h(t), φ
o
, and p
i
(t).
• The process is bilaterally coupled to the neighbouring ﬂow system to the left
and to the right. This means that there is a mutual information exchange
between the process and the adjacent systems at both sides. The model expresses
this coupling by assuming the pressure at the right interconnection p
o
to be
atmospheric, i.e., not to change in relation to the variables considered in the
process. Thus φ
o
(t) can vary without causing a response in p
o
(t). At the left
interconnection, φ
i
(t) is assumed to be determined by the upstream ﬂow process,
and our model determines the reaction in p
i
(t) which acts as an input variable
for the upstream process.
• In ﬁgure 1.8, the block indicated by (∗) represents a multiplication block, i.e., its
output is the multiplication of all (three) input variables. Similarly, the block
indicated by the square root sign determines its output as the square root of
its input. These blocks represent nonlinear signal operations and show that the
represented system is nonlinear, i.e., does not satisfy the superposition principle.
7. Numerical solution of the equations: The block diagram of ﬁgure 1.8 can directly
be used in a simulation tool for continous systems (e.g., Simnon or Simulink). The
following parameters have been used:
A = 1.0 m
2
g = 9.8 m/s
2
A
∗
v
= 0.001 m
2
ρ = 980 kg/m
3
K = 0.01
φ
∗
o
= 0.001 m
3
/s
where the asterix values indicate the used steady state. The resulting value for h
∗
is 1/(0.98)
2
= 1.0412. Figure 1.9 shows responses of ﬂow out and ﬂuid level on step
disturbances in the valve position. The nonlinear behaviour causes diﬀerent responses
for the positive and negative step inputs. Figure 1.10 shows for ﬁxed valve position the
response to inlet ﬂow step disturbances. Figure 1.11 shows the buﬀering capabilities of
the vessel for fast stochastic variations in input ﬂow, which are considerably reduced
in the outlet ﬂow.
14 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
S
V
T(t)
φ
φ
T
i
(t)
T
o
(t)
Figure 1.12: Process vessel under ideal mixing assumption
−
+
φ
V
dT(t)
dt
initial T(0)
T(t) T
i
(t)
Figure 1.13: Internal structure of energy balance model for mixing vessel
1.3.3 Conservation laws for energy
The formulation of correct energy balances is not a trivial matter. See for example chapter
5 in Denn [13]. In general, the total energy of a system consists of the internal, kinetic and
potential energy terms. In many cases where the energy balance is dominated by thermal
eﬀects, the kinetic and potential energy terms can be neglected. A simple energy balance
without generation phenomena for a onephase incompressible ﬂuid of constant density ρ
and constant speciﬁc heat C
p
in a constant volume V reads
d
dt
(V ρC
p
T(t)) =
¸
k
φ
k
(t)ρC
p
T
k
(t) (1.9)
where V is the volume within a ﬁxed control surface S, T(t) is the timevarying temper
ature within the control surface, and T
k
(t) are the temperatures of the volumetric ﬂows
φ
k
(t) through the surface S, having positive and negative values for inﬂow and outﬂow,
respectively. Note that the above conservation law is a macroscopic balance, i.e., we have
explicitly or implicitly assumed that all ﬂuid particles inside V behave identically in time,
as if V were perfectly mixed.
1.3.4 Example: Energy accumulation in vessel
For the case of one ﬂow in and one ﬂow out, the process is shown in ﬁgure 1.12 and the
energy balance is
V ρC
p
dT(t)
dt
= φρC
p
[T
i
(t) −T
o
(t)] (1.10)
Note that this is a macroscopic overall balance equation, summing all heat balance con
tributions in the total volume V . Due to this overall summation, each particle within V
1.4. MICROSCOPIC CONSERVATION LAWS 15
0 1 2 3 4 5
50
60
70
80
90
100
0.02 width
inlet temperature
d
e
g
r
e
e
s
0 1 2 3 4 5
49.8
50
50.2
50.4
50.6
50.8
51
51.2
outlet temperature
time (hrs)
d
e
g
r
e
e
s
0 1 2 3 4 5
49.8
50
50.2
50.4
50.6
50.8
51
51.2
inlet temperature
d
e
g
r
e
e
s
0 1 2 3 4 5
49.8
50
50.2
50.4
50.6
50.8
51
51.2
outlet temperature
d
e
g
r
e
e
s
time (hrs)
Figure 1.14: Temperature response of mixing vessel on inlet temperature impulse and step
has temperature T(t), possibly varying in time but spatially uniform. This corresponds
to the assumption of an ideally mixed internal ﬂow pattern, and we may replace T
o
(t) by
T(t). The resulting energy balance can be written in statespace form, i.e., in a ﬁrstorder
diﬀerential equation form with only a time derivative of a state variable in the lefthand
side:
dT(t)
dt
=
φ
V
[T
i
(t) −T(t)] (1.11)
The block diagram of this model is shown in ﬁgure 1.13. The eﬀect of the feedback loop
shows a negative sign, which in this case implies that the system is asymptotically stable.
The equation is a linear ﬁrstorder diﬀerential equation, having a time constant
τ =
V
φ
(1.12)
which in physical terms equals the average residence time of particles ﬂowing through the
vessel. The ﬁgure 1.14 shows the temperature responses for a vessel with time constant
(average residence time) τ = 1 hour.
1.4 Microscopic Conservation Laws
In the case that a concentration, density, temperature or any particlesrelated quantity
can not be assumed to be uniform over the volume V inside a control surface S, it is
not useful to formulate a macroscopic (integral) balance over the total volume V . In other
words, if a volume V cannot be assumed to behave like ideally mixed, one could resort to the
formulation of microscopic conservation laws. The formulation of a conservation law for the
elemental volume (δx, δy, δz) in V , and subsequently letting the δx, δy, δz approach zero,
yields a microscopic conservation law having the format of a partial diﬀerential equation.
16 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
For energy, a possible form is
ρC
p
∂T
∂t
+ v
x
∂T
∂x
+ v
y
∂T
∂y
+ v
z
∂T
∂z
= k
∂
2
T
∂x
2
+
∂
2
T
∂y
2
+
∂
2
T
∂z
2
+G (1.13)
Here the ﬁrst term represents the variation of accumulation of energy per time units, and the
next terms in the left hand side describe the net bulk transport of energy through the surface
S. The ﬁrst three terms in the right hand side describe transport through the surface S by
thermal diﬀusion; and G denotes a net generation term. The temperature T(x, y, z, t) now
is a function of both time t and the spatial coordinates x, y, z. The parameter k represents
the thermal conductivity (kgm/s
3
deg), and deﬁnes the thermal diﬀusion coeﬃcient
D
T
:=
k
ρC
p
(1.14)
where D
T
has units m
2
/s. The three velocities v
x
, v
y
, v
z
represent the local bulk velocity
components of mass particles in the three coordinate directions. In deriving equation (1.13)
we have assumed that ρ, C
p
and k are constant over V . As a preliminary observation, we
see:
• A microscopic balance such as 1.13 contains three diﬀerent types of terms:
1. Variations per time unit of accumulated energy
2. Transport of energy through convective transport, i.e., as a consequence of
the fact that particles move with a velocity (v
x
, v
y
, v
z
) whereas the coordinate
frame is ﬁxed
3. Transport of energy through diﬀusion, i.e., through a physical mechanism of
molecular interaction that creates an energy ﬂux proportional to (the negative
of) the actual spatial gradient of the temperature
• The ﬂow pattern in a vessel must be known or must be computed in some way if one
wishes to formulate and to solve a microscopic conservation law
• For the derivation of mircroscopic balance equations such as 1.13, consult e.g., Him
melblau and Bischoﬀ [23] and Bird, Stewart and Lightfoot [9]. A derivation for the
onedimensional case is given in the next chapter.
Along similar lines one obtains the following microscopic mass balance in three rectangular
spatial coordinates for a component A in a dilute binary system:
∂c
A
∂t
+ v
x
∂c
A
∂x
+ v
y
∂c
A
∂y
+ v
z
∂c
A
∂z
= D
AB
∂
2
c
A
∂x
2
+
∂
2
c
A
∂y
2
+
∂
2
c
A
∂z
2
+G
A
(1.15)
where c
A
is the molar concentration (mole/m
3
) of component A, and D
AB
(m
2
/s) is the
diﬀusion coeﬃcient.
Note that the microscopic balances (1.13) and (1.15) require the availability of the initial
values T(x, y, z, t
0
) and c
A
(x, y, z, t
0
), respectively, if we wish to determine their evolution
ary solution in time for t ≥ t
0
. These initial values require the speciﬁcation of T and c
A
at
t = t
0
over the whole spatial domain. Additionally, at the boundary of this spatial domain
the boundary values for T(x, y, z, t) and c
A
(x, y, z, t) and their partial space derivatives
have to be speciﬁed as a spatial function of time. Moreover, the formulation of the equa
tions (1.13) and (1.15) assumes that the velocity ﬁeld v
x
(x, y, z, t), v
y
(x, y, z, t), v
z
(x, y, z, t)
1.4. MICROSCOPIC CONSERVATION LAWS 17
v v
S S
x = 0 x = L
x
x x + ∆x
T(x) T(x + ∆x)
A
Figure 1.15: Pipe ﬂow with uniform velocity v(t) (plug ﬂow)
is known as a function of the three spatial coordinates and time. These facts indicate
that in general a microscopic formulation either requires the parallel computation of the
actual possibly timevarying ﬂow pattern, or requires considerable simplifying assumptions
in order to be of practical use. The ﬁrst option can be realized by extensive numerical com
putations using specialised numerical software packages, and will be utilised in cases where
a rigorous model is required. Simpliﬁcations may involve the observation that the ﬂow pat
tern can be idealized, e.g., in cases where the main ﬂow direction is in only one coordinate
direction. In that event a onedimensional spatial representation may suﬃce. Also note
that the occurrence of velocity and diﬀusion coeﬃcients in the microscopic balance equa
tions (1.13) or (1.15) implies that when these coeﬃcients become large, then the behaviour
of the balance equations approaches the behaviour of the ideally mixed macroscopic case.
1.4.1 Onedimensional microscopic balance equations
We will present the derivation of microscopic balances for the onedimensional case. Con
sider the ﬂow in a pipe having essentially a uniform velocity v(t) over its crosssectional area
A. We call this type of (idealised) ﬂow pattern plug ﬂow. Applying a (macroscopic) en
ergy balance to an elementary volume A∆x as shown in ﬁgure 1.15 and assuming constant
physical material properties, yields the equation
A∆xρC
p
dT(x + ∆x, t)
dt
=
= v(t)AρC
p
[T(x, t) −T(x + ∆x, t)] + Ak
¸
−
∂T(x, t)
∂x
+
∂T(x + ∆x, t)
∂x
(1.16)
The following issues explain the equation:
• We have assumed the volume A∆x to behave as if it were ideally mixed, i.e., its
bulk temperature equals the local temperature T(x +∆x, t) occurring at the outﬂow
location
• In the right hand side we have two terms. The ﬁrst one describes convective transport
due to particle velocity v(t)
• The second term describes diﬀusion. The occurrence of heat conduction or molecular
diﬀusion introduces a heat ﬂux assumed to be proportional to the spatial tempera
ture gradient. The representation of this phenomenon can also be used to represent
turbulent eddy diﬀusion.
18 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
For the diﬀusion phenomena, we assume a transport term across the boundary to be pro
portional to the negative of the local spatial temperature gradient:
−
∂T(x, t)
∂x
(1.17)
with a proportionality factor given by the thermal conductivity k (kgm/s
3
deg). Division
of the equation (1.16) by A∆xρC
p
, and letting ∆x →0, leads to
∂T(x, t)
∂t
+ v(t)
∂T(x, t)
∂x
= D
T
∂
2
T(x, t)
∂x
2
(1.18)
where the thermal diﬀusion coeﬃcient D
T
is deﬁned by equation (1.14). The derived one
dimensional plugﬂow based energy balance equation (1.18) combines the phenomena of
convection and diﬀusion and is called a convectiondiﬀusion equation. This can be shown
by ﬁrst investigating the case D
T
= 0. In that case we have the onedimensional microscopic
balance for convective transport
∂T(x, t)
∂t
+ v(t)
∂T(x, t)
∂x
= 0 (1.19)
with initial and boundary conditions
T(x, t
0
) = T
init
(x) (1.20)
T(x
0
, t) = T
i
(t) (1.21)
Equation (1.20) speciﬁes the initial temperature proﬁle to be given for all x ≥ x
0
in the
spatial domain, e.g., x ∈ [0, L] if x
0
= 0 is at the inlet and x = L is at the outlet position
of the considered pipe ﬂow system. Equation (1.21) speciﬁes the inlet temperature as a
function of time for all t ≥ t
0
.
A diﬀerent simpliﬁcation occurs if we assume the velocity to be zero, v(t) = 0, in
equation (1.18). In that case we obtain the onedimensional diﬀusion equation
∂T(x, t)
∂t
= D
T
∂
2
T(x, t)
∂x
2
(1.22)
for which we need to specify initial and boundary conditions, which now will involve
T(x, t),
∂T(x,t)
∂x
or both. The issues of how to specify initial and boundary conditions for
these partial diﬀerential equations is important. In a future chapter, the notion of bilaterally
coupled systems will be considered. With respect to boundary conditions for the diﬀusion
equation this implies that at each side of the spatial domain (i.e., at x = 0 and at x = L),
one can specify either a temperature or a heat ﬂux as boundary condition (or a single linear
combination of these two), but not both. Specifying a heat ﬂux at a boundary is equivalent
to specifying
∂T(x,t)
∂x
at that boundary.
The terminology for the models deﬁned in this section is as follows. Microscopic balances
are written in terms of partial diﬀerential equations. A system described by a partial
diﬀerential equation is called a distributed parameter system or an inﬁnitedimensional
system. A system described by a ﬁnite number of integral balances, i.e., macroscopic
balances, is called a lumped parameter system, and its mathematical representation is in
terms of ordinary diﬀerential equations.
1.5. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS 19
1.5 Linearity and Linearization of Nonlinear Models
Suppose that a lumped parameter system is described by the possibly nonlinear vector
diﬀerential equation in statespace form
d
dt
x(t) = f(x(t), u(t)) x(t
0
) = x
0
(1.23)
where x, f ∈ R
n
, u ∈ R
x
m. The m variables in the vector u(t) are the input variables, to
which the system is assumed to be subjected by the surroundings. The n variables in x(t)
are called the state variables. The n model relations expressed by f(x, u) are assumed to
be constant or timeinvariant.
It can be observed that most processes behave globally as nonlinear systems, whereas many
processes behave locally as approximately linear systems. This observation provides the
motivation for deriving linearized models.
1.5.1 Deﬁnition of linearity
Linearity is a property which is identical to the fact that the superposition principle applies.
The model (1.23) is linear if it satisﬁes the following three basic superposition properties:
1. Zerostate linearity:
x(φ
x
, t
0
, au
1
+ bu
2
) ≡ ax(φ
x
, t
0
, u
1
) + bx(φ
x
, t
0
, u
2
) (1.24)
for all inputs u
1
,u
2
∈ R
m
and for all constants a, b ∈ R, where φ
x
denotes the zero
state of the system.
2. Zeroinput linearity:
x(ax
01
+ bx
02
, t
0
, φ
u
) ≡ ax(x
01
, t
0
, φ
u
) + bx(x
02
, t
0
, φ
u
) (1.25)
for all states x
01
, x
02
∈ R
n
and constants a, b ∈ R, where φ
u
denotes the zero input
function.
3. Decomposition property:
x(x
0
, t
0
, u) = x(φ
x
, t
0
, u) + x(x
0
, t
0
, φ
u
) (1.26)
for all x
0
∈ R
n
and all inputs u ∈ R
m
.
The three conditions in the deﬁnition can be given an interpretation as follows. Zerostate
linearity requires superposition to hold for the system when the initial state is zero and
a state response occurs only due to the eﬀect of an input. Similarly, zeroinput linearity
requires the system to obey superposition in the response to nonzero initial states, when
the inputs are zero. Finally, the decomposition property requires a state response to be the
sum of the eﬀects of a response due to an input for initial state zero, and a response due
to a nonzero initial state for inputs equal to zero.
Now a nonlinear system is a system for which we only specify that the superposition
principle does not hold. This is a rather void characterization in the sense that it states
the fact that an idealised property such as linearity does not hold, without stating any
further characterization or property of the system. Thus we may expect that a further
characterization of the properties of a nonlinear system is required before we can make any
assessment about its behaviour.
We may think of linear systems as locally linearised approximations of smooth nonlinear
processes. There are some strong arguments in favour of the study of linear systems :
20 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
• For linear systems, analytic solutions and analytically derived system properties are
available. It is often useful to determine analytically the parameter groups that
are responsible for such properties as steadystate gain, time constants, coupling
coeﬃcients, stability behaviour, or sensitivity coeﬃcients with respect to parameter
variations.
• For nonlinear systems, such an analysis is in general not possible. We have to resort
to numerical simulations and numerical computations for nonlinear systems. A com
puter can provide a numerical solution, but it in general does not provide background
information about the relationship of this solution to the parameters of the model.
• For many processes the function f(x, u) in the right hand side of the model (1.23)
is a smooth function of x and u, except possibly in a ﬁnite number of values of its
arguments. This implies that local linearization might be feasible in many cases.
• Many of the presently available techniques for stability analysis and for feedback
design for nonlinear systems are direct extensions of corresponding linear techniques
and they require smoothness of f(x, u) in equation (1.23). Thus a linearized analysis
provides a result that also is relevant to the understanding of the local behaviour of
the nonlinear techniques.
On the other hand, we must keep in mind proper respect for the limitations of a lin
earized analysis. For example, there exist certain stability issues for the global behaviour of
nonlinear systems for which a linearized analysis does not present any valuable information.
1.5.2 Linearization
Let x
∗
, u
∗
be the state and input corresponding to a set of stationary operating conditions
for the nonlinear statespace model of equation (1.23). A necessary and suﬃcient condition
for x
∗
, u
∗
to qualify in deﬁning stationary operating conditions is that they satisfy
0 = f(x
∗
, u
∗
) (1.27)
In general there are inﬁnitely many x
∗
, u
∗
satisfying equation (1.27). Now consider
x(t) = x
∗
+ ∆x(t) u(t) = u
∗
+ ∆u(t) (1.28)
and expand the function f(x, u) in a Taylor series about the nominal values x
∗
, u
∗
:
f(x, u) = f(x
∗
, u
∗
) +
∂f
∂x
∗
∆x +
∂f
∂u
∗
∆u + higherorder terms (1.29)
Because f(x
∗
, u
∗
) satisﬁes (1.27), we have
d
dt
∆x(t) =
∂f
∂x
∗
∆x(t) +
∂f
∂u
∗
∆u(t) + higherorder terms (1.30)
For suﬃciently smooth f and small ∆x(t), ∆u(t), the higherorder terms are small compared
to the linear terms and can be neglected. By doing this we approximate the nonlinear
equations by linear ones and this leads to the approximating linear statespace model
d
dt
∆x(t) = A∆x(t) + B∆u(t) ∆x(t
0
) = ∆x
0
(1.31)
1.5. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS 21
where
A
ij
=
∂f
i
∂x
j
∗
, B
ik
=
∂f
i
∂u
k
∗
(1.32)
i, j ∈ {1, 2, · · · , n} k ∈ {1, 2, . . . , m}
deﬁne the matrices
A =
∂f
∂x
∗
∈ R
n×n
, B =
∂f
∂u
∗
∈ R
n×m
(1.33)
If our nominal conditions f(x
∗
, u
∗
) are not stationary, but rather constitute a nominal tra
jectory for the system, the same concept of linearization still applies, be it now linearization
along a (given) nominal trajectory. A set of values x
∗
(t), u
∗
(t) is a nominal trajectory if
x
∗
(t), u
∗
(t) satisfy the model (1.23). Then the formal execution of the same steps leads to
the linearized model
d
dt
∆x(t) = A(t)∆x(t) + B(t)∆u(t) ∆x(t
0
) = ∆x
0
(1.34)
Observe that the linearized model now has timevarying coeﬃcients. In the derivation of
this result we deﬁne x(t) = x
∗
(t) + ∆x(t), u(t) = u
∗
(t) + ∆u(t) so that now ∆x(t), ∆u(t)
denote small perturbations of the actual trajectory of the system about the nominal tra
jectory x
∗
(t), u
∗
(t). As an example, such a nominal trajectory can be the trajectory that
is foreseen in a startup or shutdown operation, or during the transfer of a process from
a set of existing operationg conditions to a diﬀerent one, e.g., grade change. We assume
that a nominal trajectory x
∗
(t), u
∗
(t) is available in quantitative form. Due to its inherent
variation in time, the partial derivatives
∂f
∂x
∗
,
∂f
∂u
∗
(1.35)
no longer are constant but vary when passing along the trajectory. Consequently, these
matrices can be expressed as a function of time and lead to timevarying matrices A(t), B(t)
in equation (1.33). Note that a timevarying system is the result of a linearization about
a nonconstant nominal trajectory. If the nominal trajectory is not varying in time, then
the resulting matrices A, B (1.33) are timeinvariant.
1.5.3 Example: Process dynamics of mixing process
Consider the mixing process shown in ﬁgure 1.16 where two ﬂows φ
1
(t) and φ
2
(t) having
concentration c
1
(t) and c
2
(t), respectively, are input ﬂows for a vessel and are mixed. These
concentrations describe a single component occurring in both ﬂows. The incoming ﬂows
are controlled by a valve in each of the ﬂow lines. Outﬂow occurs under the inﬂuence
of gravity through an oriﬁce. The vessel is agitated by a stirrer. The basic approach of
modelling leads to the following steps.
1. Deﬁning the problem. The purpose of the model is to describe how the outgoing
ﬂow φ(t) and its concentration c(t) depend upon the ﬂows φ
1
(t) and φ
2
(t) and their
concentrations c
1
(t) and c
2
(t).
2. System boundary. The mixing process takes place in the interior of the vessel;
take system boundary around the vessel.
22 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
C(t)
A
1 2
φ
1
(t)
C
1
(t)
φ
2
(t)
C
2
(t)
h(t)
φ(t) C(t)
S
Figure 1.16: Mixing vessel having natural outﬂow through oriﬁce
0 10 20 30
0
0.5
1
1.5
inlet flow phi2
m
3
/
h
r
0 10 20 30
0.3
0.35
0.4
0.45
0.5
outlet concentration
k
m
o
l
/
m
3
0 10 20 30
0.2
0.4
0.6
0.8
1
1.2
1.4
1.6
outlet flow phi
m
3
/
h
r
time (hrs) −−>
0 10 20 30
0
0.5
1
1.5
2
2.5
level
m
time (hrs) −−>
Figure 1.17: Responses of mixing process on inlet ﬂow step
1.5. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS 23
0 5 10 15
1.24
1.245
1.25
1.255
1.26
a
b
inlet flow phi2
m
3
/
h
r
0 5 10 15
0.2992
0.2994
0.2996
0.2998
0.3
0.3002
0.3004
0.3006
a
b
outlet concentration
k
m
o
l
/
m
3
0 5 10 15
1.49
1.495
1.5
1.505
1.51
a
b
outlet flow phi
m
3
/
h
r
time (hrs) −−>
0 5 10 15
2.22
2.24
2.26
2.28
a
b
level
m
time (hrs) −−>
Figure 1.18: Small signal responses of mixing process on inlet ﬂow step
3. Variables through system boundary. The ﬂows φ
1
(t) and φ
2
(t) are the result
of pressure drop and valve openings in the surroundings, and thus are inputs to our
system. Their concentrations c
1
(t) and c
2
(t) describe properties of mass ﬂow particles
that pass the system boundary inwards, and thus also have to be considered as input
variables. By similar reasoning, φ(t) and c(t) are to be considered as output variables.
4. Model hypotheses.
• The vessel is assumed to be ideally mixed. The concentration in the vessel is
not spacedependent and thus can be represented by a single variable c(t).
• We assume that no leakage or evaporation of the ﬂuid occurs.
• The density ρ is assumed to be independent of the concentration c(t).
• The crosssectional area A is constant.
• The level in the vessel can be described by a single variable h(t).
5. Development of a conceptual model. The total volumetric incoming and outgo
ing ﬂows will determine the level. The outgoing ﬂow will be related to the pressure
drop over the oriﬁce which has a ﬁxed opening. This pressure drop is proportional to
the level in the vessel.
6. Decomposition into subsystems. As the valves are left outside the system bound
ary, there is no direct reason to partition the system into subsystems.
7. Formulation of conservation laws. In the problem we have the 7 variables φ
1
(t),
φ
2
(t), c
1
(t), c
2
(t), φ(t), c(t) and h(t). Of these 7 variables, 4 are given by the sur
roundings as inputs. Thus we need 3 independent equations to describe the remaining
3 variables. We have the following relations:
mass balance (total):
dρAh(t)
dt
= ρφ
1
(t) + ρφ
2
(t) −ρφ(t) (1.36)
24 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
mass balance (component):
dc(t)Ah(t)
dt
= c
1
(t)φ
1
(t) + c
2
(t)φ
2
(t) −c(t)φ(t) (1.37)
ﬂow through oriﬁce:
φ(t) = k
h(t) (1.38)
where k is a constant, determined by the opening of the oriﬁce and by material
properties of the ﬂuid. The three model relations (1.36), (1.37) and (1.38) describe
the model. There are two diﬀerential equations and one algebraic equation.
8. Mathematical simpliﬁcations. The three relations (1.36), (1.37) and (1.38) can
be simpliﬁed by eliminating φ(t) from (1.37) by using (1.38), and by inserting (1.36)
into (1.37):
A
dh(t)
dt
= φ
1
(t) + φ
2
(t) −k
h(t) (1.39)
Ah(t)
dc(t)
dt
= [c
1
(t) −c(t)]φ
1
(t) + [c
2
(t) −c(t)]φ
2
(t) (1.40)
We now have two model equations in the form of two diﬀerential equations, with
h(t) and c(t) as unknowns. The equation for the output ﬂow (1.38) can be part of
the model in the sense that it does not describe the internal variables of the system,
but, given the internal variables, it can be considered as deﬁning an output variable,
i.e., a variable that is transmitted through the system boundary to the surroundings.
Simulation results in ﬁgures 1.17 and 1.18 show typical responses of the process. The
following parameter values have been used:
A = 1.5 m
2
c
∗
1
= 0.8 kmol/m
3
c
∗
2
= 0.2 kmol/m
3
k = 1.0
φ
∗
1
= 0.25 m
3
/hr
φ
∗
2
= 1.25 m
3
/hr
The ﬁgure 1.17 shows process responses for a large step disturbance in inlet ﬂow
φ
2
. Note the diﬀerence in concentration response speed for the high level and low
level situation. The responses show nonlinear behaviour, as superposition clearly
does not hold. The ﬁgure 1.18 shows small signal behaviour in the close vicinity of a
stationary operating condition. The process variables respond almost as if the process
were linear. The stationary initial process condition in both ﬁgures is identical.
9. Mathematical approximation. If desired, the model relations 1.40 and 1.39 can
be linearized about a set of stationary operating conditions. Write each variable as
h(t) = h
∗
+ ∆h(t)
c(t) = c
∗
+ ∆c(t)
and similarly for other variables. Here, the variables h
∗
, c
∗
indicate the value of the
variable in the stationary operating condition, and ∆h(t), ∆c(t) are the deviations
from these values. Inserting these variables into equation (1.40) yields:
A[h
∗
+ ∆h(t)]
d[c
∗
+ ∆c(t)]
dt
= [c
∗
1
+ ∆c
1
(t) −c
∗
−∆c(t)][φ
∗
1
+ ∆φ
1
(t)]+
1.5. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS 25
[c
∗
2
+ ∆c
2
(t) −c
∗
−∆c(t)][φ
∗
2
+ ∆φ
2
(t)] (1.41)
In steadystate the relation is:
0 = [c
∗
1
−c
∗
]φ
∗
1
+ [c
∗
2
−c
∗
]φ
∗
2
(1.42)
Subtracting (1.42) from (1.41):
Ah
∗
d∆c(t)
dt
+ A∆h(t)
d∆c(t)
dt
= [c
∗
1
−c
∗
]∆φ
1
(t) + φ
∗
1
[∆c
1
(t) −∆c(t)]
+[∆c
1
(t) −∆c(t)]∆φ
1
(t) + [c
∗
2
−c
∗
]∆φ
2
(t) + φ
∗
2
[∆c
2
(t) −∆c(t)]
+[∆c
2
(t) −∆c(t)]∆φ
2
(t) (1.43)
Linearization of (1.43) amounts to deleting all terms that contain a product of two
∆variables:
Ah
∗
d∆c(t)
dt
= [c
∗
1
−c
∗
]∆φ
1
(t) + φ
∗
1
[∆c
1
(t) −∆c(t)]+
[c
∗
2
−c
∗
]∆φ
2
(t) + φ
∗
2
[∆c
2
(t) −∆c(t)] (1.44)
A similar operation can be performed by inserting the perturbed variables into the
equation (1.39), yielding:
A
d[h
∗
+ ∆h(t)]
dt
= φ
∗
1
+ ∆φ
1
(t) + φ
∗
2
+ ∆φ
2
(t) −k
h
∗
+ ∆h(t) (1.45)
In the steady state the relation is:
0 = φ
∗
1
+ φ
∗
2
−k
√
h
∗
(1.46)
The term containing the square root can be linearized by the following observation:
h
∗
+ ∆h(t) =
√
h
∗
1 +
∆h(t)
h
∗
=
√
h
∗
[1 +
∆h(t)
2h
∗
] + higher order terms in ∆h(t) (1.47)
The last step can be veriﬁed by computing the square of the left and right hand sides
of equation (1.47). Inserting (1.46) and (1.47) into (1.45) yields the second linearized
model relation:
A
d∆h(t)
dt
= ∆φ
1
(t) + ∆φ
2
(t) −
φ
∗
∆h(t)
2h
∗
(1.48)
where φ
∗
= φ
∗
1
+ φ
∗
2
. The linearized version of (1.38) is:
φ
∗
+ ∆φ(t) = k
√
h
∗
[1 +
∆h(t)
2h
∗
] (1.49)
so that
∆φ(t) =
φ
∗
2h
∗
∆h(t) (1.50)
26 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
Deﬁne the parameter θ as the average residence time of mass particles in the vessel:
θ =
h
∗
A
φ
∗
(1.51)
Then the equations (1.44), (1.48) and (1.50) can be formulated in the standard state
space form for linear sets of diﬀerential equations:
d
dt
¸
∆h(t)
∆c(t)
=
¸
−
1
2θ
0
0 −
1
θ
¸
∆h(t)
∆c(t)
+
¸
1
A
1
A
0 0
c
∗
1
−c
∗
Ah
∗
c
∗
2
−c
∗
Ah
∗
φ
∗
1
Ah
∗
φ
∗
2
Ah
∗
∆φ
1
(t)
∆φ
2
(t)
∆c
1
(t)
∆c
2
(t)
¸
¸
¸
¸
¸
∆φ(t)
∆c(t)
=
¸
A
2θ
0
0 1
¸
∆h(t)
∆c(t)
(1.52)
The model is in the standard form
d
dt
x(t) = Ax(t) + Bu(t)
y(t) = Cx(t) (1.53)
where x(t) is the state vector, u(t) is the input vector, and y(t) is the output vector.
1.6 Diﬀerentialalgebraic model equations
The model in equation (1.23) is not the most general one encountered in dynamic modelling.
In fact, in general we have coupled diﬀerential equations and algebraic equations of the form
d
dt
x
1
(t) = f(x
1
(t), x
2
(t), u(t))
0 = g(x
1
(t), x
2
(t), u(t)) (1.54)
The algebraic equations (1.54) are in implicit form. This may be experienced by the
occurrence of algebraic loops, i.e., implicit algebraic relations amongst the variables in
x
1
, x
2
and u. We can try to replace the equations (1.54) by an equivalent explicit set of
equations in which the variables x
2
(t) are speciﬁed as explicit functions of x
1
(t) and u(t) :
x
2
(t) = h(x
1
(t), u(t)) (1.55)
If indeed the model (1.54) can be brought into the format (1.55), we can insert (1.55) into
the diﬀerential equations in (1.54) and obtain a model in statespace form:
d
dt
x
1
(t) = f(x
1
(t), h(x
1
(t), u(t)), u(t)) (1.56)
or
d
dt
x
1
(t) = f
∗
(x
1
(t), u(t)) (1.57)
The structure of these relations is shown in ﬁgure 1.19. Note that all signals pass through
the integrator in their route from inputs to outputs.
For smooth functions f, g in equations (1.54), the solutions to the linearized model are
contained in the set of solutions to the nonlinear model, be it in an approximate sense
1.6. DIFFERENTIALALGEBRAIC MODEL EQUATIONS 27
u(t)
x
2
(t)
u(t)
x
1
(t)
f
∗
h
f
dx
1
(t)
dt
x
1
(0)
x
1
(t)
Figure 1.19: Diﬀerentialalgebraic equations, transformed to statespace form
and under the conditions of the validity of these approximations. For the approach shown
above for bringing a model formulated in terms of algebraic and diﬀerential equations
into an explicit statespace form, further insight into the existence question of this model
transformation can be derived from a linearized analysis.
A linearized version of f and g with respect to x
1
, x
2
and u about a stationary solution
x
∗
1
, x
∗
2
, u
∗
leads to the linearized model
d
dt
∆x
1
(t) = A
11
∆x
1
(t) + A
12
∆x
2
(t) + B
1
∆u(t)
0 = A
21
∆x
1
(t) + A
22
∆x
2
(t) + B
2
∆u(t) (1.58)
where
A
11
=
∂f
∂x
1
∗
A
12
=
∂f
∂x
2
∗
B
1
=
∂f
∂u
∗
A
21
=
∂g
∂x
1
∗
A
22
=
∂g
∂x
2
∗
B
2
=
∂g
∂u
∗
(1.59)
Now a suﬃcient condition for the existence of an explicit expression that is equivalent to
the algebraic equations (1.58) is that the matrix A
22
is nonsingular, i.e., it is invertible.
In that case, the explicit expression is
∆x
2
(t) = −A
−1
22
A
21
∆x
1
(t) −A
−1
22
B
2
∆u(t) (1.60)
Inserting this explicit expression for ∆x
2
(t) into the diﬀerential equations in (1.58) leads
to the linear statespace model
d
dt
∆x
1
(t) = A∆x
1
(t) + B∆u(t) ∆x
1
(t
0
) = x
10
(1.61)
with
A = A
11
−A
12
A
−1
22
A
21
(1.62)
B = B
1
−A
12
A
−1
22
B
2
(1.63)
If A
22
turns out to be singular, then a further analysis is necessary in order to assess the
properties of the system under consideration. In that case we may have to investigate the
index of the system, or it may turn out that our system model is internally or externally
nonproper. The discussion of these issues will be given in chapter 5.
28 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
T
set
(t)
TC
control
X(t)
φ
j
(t)
T
jo
(t)
cooling water
product ﬂow
feed ﬂow
vessel
jacket
T
j
(t) C(t)
T(t)
C(t) T(t)
C
i
(t) T
i
(t)
cooling water out
Figure 1.20: Exothermal chemical reactor
The perturbation variables ∆x,∆u will often be replaced by x, u if the context of a
linear model is clear. Then equation (1.61) is written as
d
dt
x
1
(t) = Ax
1
(t) + Bu(t) x
1
(t
0
) = x
10
(1.64)
Assuming that A, B are timeinvariant, the solution is:
x
1
(t) = e
A(t−t
0
)
x
10
+
t
t
0
e
A(t−τ)
Bu(τ)dτ (1.65)
where the matrix exponential is deﬁnied by its series expansion
e
At
= I + At +
1
2!
A
2
t
2
+ . . . (1.66)
1.7 Continuous chemical reactor process dynamics
As an example of a more involved process modeling exercise, a continuous ﬂow system
will be considered in which a nonisothermal chemical reaction takes place. The reaction is
assumed to be exothermic and irreversible. Reactant A forms the product B at a speciﬁc
reaction rate k, which is indicated by A
k
−→B. The reaction vessel will be assumed to be
well mixed, and such a process is known under the name CSTR (Continuous StirredTank
Reactor). There is a continuous input feed ﬂow to the process, and a continuous outﬂow.
Density variations are assumed to be neglected, and the vessel is completely ﬁlled. Thus
input volumetric ﬂow φ(t) is equal to the output volumetric ﬂow. The ﬂow can vary in
time. The vessel is surrounded by a cooling jacket to remove the heat of reaction. The
amount of cooling water is controlled by a valve, the opening of which is determined by
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 29


 
 


? ? ?
controller valve
jacket reactor
T
set
(t)
X(t) φ
j
(t) Q(t)
T
j
(t)
T(t)
C(t)
T
jo
(t) T
i
(t) C
i
(t) φ(t)
Figure 1.21: Block diagram of CSTR subsystems and interconnections
a PIcontroller. The reaction temperature in the vessel is the controlled variable. The
process is shown in ﬁgure 1.20. The various decisions underlying the modelling procedure
closely follow the scheme given in table 1.1:
1. Intended purpose of the model: To describe the dynamics of the process such
that conclusions regarding stability of operation can be drawn
2. System boundary: The exothermic reaction needs cooling, and the amount of cool
ing must be adapted to the actual heat production if constant operational conditions
are required in the face of disturbances. Thus the system consists of vessel, cooling
jacket, cooling ﬂow valve and temperature controller. The amount of ﬂow through
the vessel is assumed to be determined outside the system.
3. Variables across system boundary: The following input variables must be con
sidered:
• volumetric ﬂow φ(t) (m
3
/s) through the vessel
• temperature T
i
(t) (K) of the input ﬂow to the vessel
• concentration C
i
(t) (mol/m
3
) of component A in the input ﬂow
• coolant ﬂow inlet temperature T
jo
(t) (K)
• setpoint value T
set
(K) for the temperature controller
As internal variables we have:
• volumetric ﬂow φ
j
(t) (m
3
/s) through the jacket
• temperature T
j
(t) (K) of the jacket
• concentration C(t) (mol/m
3
) of component A in the vessel
• temperature T(t) (K) of the ﬂuid in the vessel
This list must be completed on the basis of a further study of the model hypotheses
and conservation laws.
4. Model hypotheses:
• The vessel is perfectly mixed
30 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
• There are no heat losses to the environment from coolant ﬂow, jacket and vessel
• The jacket is assumed to be perfectly mixed
• The heat capacity of the vessel wall between vessel and jacket is neglected; its
heat resistance is assumed to be incorporated in the heat transfer coeﬃcients
between coolant and wall, and between wall and ﬂuid in the vessel
• The heat transfer between coolant and wall, and between wall and ﬂuid in the
vessel is assumed to be proportional to the diﬀerence in temperatures
• The vessel ﬂuid volume V is constant
• The density of the ﬂuid ρ (kg/m
3
) is independent of temperature T(t) and
concentration C(t), so that input volumetric ﬂow φ
i
(t) (m
3
/s) instantaneously
equals output volumetric ﬂow φ(t) (m
3
/s). The input ﬂow is assumed to be
determined outside the system.
• All material properties of the ﬂuid in the vessel are constant, independent of
concentration C(t)
• The pressure drop over the coolant valve is assumed to be constant
5. Subdivision into subsystems: The four components of the process determine four
subsystems which will be discussed regarding variables and interconnection structure.
The variables and interconnection structure are shown in the block diagram of ﬁgure
1.21.
(a) Reactor vessel
• input variables: C
i
(t), T
i
(t), φ(t), T
j
(t)
• internal variables: C(t), T(t), heat ﬂow Q(t) (J/s) between vessel and jacket,
rate of reaction R(t) (mol/m
3
s)
Thus 4 equations required. The variables C(t), T(t) and Q(t) act as output
variables.
(b) Jacket
• input variables: T
jo
(t), φ
j
(t), Q(t)
• internal variable: T
j
(t)
Thus 1 equation required. The variable T
j
(t) acts as output variable.
(c) Temperature controller
• input variables: T
set
(t), T(t)
• internal variables: Temperature error (t) (K), valve position X(t) (m)
Thus 2 equations required. The variable X(t) acts as output variable.
(d) Coolant valve
• input variable: X(t)
• internal variable: φ
j
(t)
Thus 1 equation required. The variable φ
j
(t) acts as output variable.
Note that the jacket and reactor are thermally bilaterally coupled.
6. Conservation laws and other model relations: These will be discussed for each
subsystem separately.
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 31
(a) Reactor vessel
Mass balance for the component A:
d
dt
{V C(t)} = φ(t)[C
i
(t) −C(t)] −V R(t) (1.67)
Energy balance for the vessel
d
dt
{V ρC
p
T(t)} = φ(t)ρC
p
[T
i
(t) −T(t)] −Q(t) + (−∆i)V R(t) (1.68)
Here −∆i (J/mol) is the heat of reaction, C
p
(J/kgK) is the speciﬁc heat. The
equation for the heat ﬂow is:
Q(t) = αA
c
[T(t) −T
j
(t)] (1.69)
where α (J/m
2
Ks) is the total heat transfer coeﬃcient between vessel and
coolant in the jacket, and A
c
(m
2
) is the total area of heat transfer between
vessel ﬂuid and jacket.
The reaction rate for an n
th
order reaction can be described by
R = C
n
ke
−
E
RT
(1.70)
where k is the frequency factor, E (J/kg) is the activation energy of the reaction,
and R (J/kgK) is the speciﬁc gas constant. In our case where one species A
reacts with a component assumed to be available in excess, the reaction is of
ﬁrst order, i.e., n = 1.
(b) Jacket
Energy balance for the jacket volume:
d
dt
{V
j
ρ
j
C
pj
T
j
(t)} = φ
j
(t)ρ
j
C
pj
[T
jo
(t) −T
j
(t)] + Q(t) (1.71)
where V
j
(m
3
) is the jacket volume, C
pj
(J/kgK) is the speciﬁc heat of the
coolant, ρ
j
(kg/m
3
) is the coolant density.
(c) Temperature controller
Suppose that this controller has the charateristics of a PIcontroller:
(t) = T
set
(t) −T(t) (1.72)
X(t) = K
p
(t) + K
i
t
−∞
(τ)dτ (1.73)
Here, K
p
and K
i
are the controller parameters for proportional action and for
integral action, respectively.
(d) Coolant valve
If we assume a linear relationship between valve position and ﬂow area, we have:
φ
j
(t)
= K
v
X(t) if 0 ≤ X ≤ X
max
= 0 if X < 0
= K
v
X
max
if X > X
max
(1.74)
where X
max
is the value for X(t) for which the valve is maximally open, and K
v
is a normalization constant allowing to take X
max
= 1.
32 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
T
∗
G, F
G
F
Figure 1.22: Heat generation G(T
∗
) and removal −F(T
∗
) in CSTR
7. Model structure investigation First the structure of the set of diﬀerential and
algebraic equations comprising the model will be analysed. The openloop model of
the reactor and jacket (without controller and coolant valve) will be considered. The
dynamic balance equations contain time derivative of the accumulation terms in the
lefthand side. These terms will be brought to a form containing only time derivatives
of individual variables. These variables will turn out to become the state variables in
the nonlinear dynamic system.
d
dt
C(t) =
φ(t)
V
[C
i
(t) −C(t)] −R(t) (1.75)
d
dt
T(t) =
φ(t)
V
[T
i
(t) −T(t)] −
Q(t)
V ρC
p
+
(−∆i)
ρC
p
R(t) (1.76)
d
dt
T
j
(t) =
φ
j
(t)
V
j
[T
jo
(t) −T
j
(t)] +
Q(t)
V
j
ρ
j
C
pj
(1.77)
0 = Q(t) −αA
c
[T(t) −T
j
(t)] (1.78)
0 = R(t) −C(t)ke
−
E
RT(t)
(1.79)
The equations (1.75)  (1.79) are in the form of the general set of diﬀerentialalgebraic
equations discussed earlier in section 1.5, equations (1.54):
d
dt
x
1
(t) = f(x
1
(t), x
2
(t), u(t))
0 = g(x
1
(t), x
2
(t), u(t)) (1.80)
In the present case, the vectors x
1
(t), x
2
(t) and u(t) are:
x
1
(t) =
C(t)
T(t)
T
j
(t)
¸
¸
x
2
(t) =
¸
Q(t)
R(t)
u(t) =
T
jo
(t)
φ
j
(t)
T
i
(t)
C
i
(t)
φ(t)
¸
¸
¸
¸
¸
¸
(1.81)
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 33
The set of equations (1.78, 1.79) determining x
2
(t) can be written explicitly as
Q(t) = αA
c
[T(t) −T
j
(t)]
R(t) = C(t)ke
−
E
RT(t)
(1.82)
and inserted in the equations (1.75)  (1.77), leading to the state space equations:
d
dt
C(t) =
φ(t)
V
[C
i
(t) −C(t)] −C(t)ke
−
E
RT(t)
(1.83)
d
dt
T(t) =
φ(t)
V
[T
i
(t) −T(t)] −
αA
c
[T(t) −T
j
(t)]
V ρC
p
+
(−∆i)
ρC
p
C(t)ke
−
E
RT(t)
(1.84)
d
dt
T
j
(t) =
φ
j
(t)
V
j
[T
jo
(t) −T
j
(t)] +
αA
c
[T(t) −T
j
(t)]
V
j
ρ
j
C
pj
(1.85)
The elimination of two internal variables using the two algebraic equations of the
model exactly corresponds to the elimination procedure described in section 1.5,
leading to equations (1.56, 1.57).
8. Steadystate nonlinearity and stability analysis The statespace model (1.83
 1.85) is nonlinear for several reasons. One is the occurrence of products of input
and state variables in the righthand sides of the state space equations, e.g., the
product φ(t)C(t) in equation 1.83. Another reason is the appearance of the nonlinear
expression for the reaction rate. The character of this nonlinearity will be investigated
by considering the steadystate behaviour of the reactor vessel. The reactor vessel
has as inputs the variables C
i
(t), T
i
(t), φ(t) and T
j
(t). In steady state, the equations
(1.83), (1.84) are
φ
∗
[C
∗
i
−C
∗
] −V C
∗
ke
−
E
RT
∗
= 0 (1.86)
φ
∗
ρC
p
[T
∗
i
−T
∗
] −αA
c
[T
∗
−T
∗
j
] + V (−∆i)C
∗
ke
−
E
RT
∗
= 0 (1.87)
where the variables (·)
∗
indicate steadystate values. From (1.86) follows an explicit
expression for C
∗
:
C
∗
=
φ
∗
C
∗
i
φ
∗
+ V ke
−
E
RT
∗
(1.88)
The lefthand side of the energy balance (1.87) can be split into two parts; one part
describes the heat generation G(T
∗
), the other part is the heat removal from the
vessel −F(T
∗
):
G(T
∗
) := AH(−∆i)C
∗
ke
−
E
RT
∗
(1.89)
Inserting (1.88):
G(T
∗
) :=
φ
∗
C
∗
i
(−∆i)ke
−
E
RT
∗
φ
∗
AH
+ ke
−
E
RT
∗
(1.90)
For given input variables φ
∗
, C
∗
i
and given material properties and reactor volume
this indeed is only a function of T
∗
. The function G(T
∗
) is Sshaped and is shown
34 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
in ﬁgure 1.22 as a function of T
∗
. The other terms in equation (1.87) deﬁne the heat
removal −F(T
∗
):
−F(T
∗
) = φ
∗
ρC
p
[T
∗
−T
∗
i
] + αA
c
[T
∗
−T
∗
j
] (1.91)
For given input variables φ
∗
, T
∗
i
, T
∗
j
this is a linear function of T
∗
:
−F(T
∗
) = [φ
∗
ρC
p
+ αA
c
]T
∗
−φ
∗
ρC
p
T
∗
i
−αA
c
T
∗
j
(1.92)
The function −F(T
∗
) is also shown in ﬁgure 1.22 as a function of T
∗
. In steady
state the heat generation equals the heat removal. The ﬁgure shows three possible
steady state equilibrium solutions: one for low temperature, one for intermediate
temperature and one for high temperature. Suppose the process is in the intermediate
point of intersection. Let a small increase in heat generation lead to a slightly higher
temperature, i.e., to a temperature to the right of the intersection point. Then the
heat removal is smaller than the heat generation, i.e., the process tends to be removed
away from the intersection conditions. The steady state operational condition in the
intermediate intersection point is called statically unstable, the other intersections are
statically stable. The following remarks apply.
• A dynamic analysis shows that the process operated in the intermediate inter
section point is also asymptotically unstable from a dynamic point of view, i.e.,
regarding its natural behaviour under disturbances as a function of time.
• The stability result holds for a ﬁxed jacket temperature T
∗
j
. If the jacket tem
perature is not ﬁxed, but varies as a function of T
∗
, a diﬀerent heat removal
function results, exhibiting diﬀerent equilibrium and stability properties.
• In particular if stabilizing proportional temperature feedback control is applied,
then the actual steadystate heat removal function −F(T
∗
) can be given a
greater slope. If stabilizing integral feedback control of the temperature T
∗
is applied, then the slope of the heat removal function −F(T
∗
) will be inﬁnite,
so that only one equilibrium intersection point occurs.
9. Dynamic simulation of the CSTR A dynamic simulation of the complete process
shows the behaviour of the process under disturbances of the various inputs, for
diﬀerent initial steadystate operating conditions. The following numerical values
have been used.
φ = 1.13 m
3
/hr
AH = 1.36 m
3
C
i
= 8.0 kmol/m
3
T
i
= 294 K
T
jo
= 294 K
(−∆i) = 6.96 ×10
7
J/kmol
ρ = 801 kg/m
3
C
p
= 3140.1 J/kgK
K
p
= −0.5
K
i
= −5
k = 7.08 ×10
10
hr
−1
E = 6.96 ×10
7
J/kmol
R = 8314.3 J/kmolK
α = 3.07 ×10
6
J/m
2
hrK
A
c
= 23.2 m
2
V
j
= 0.109 m
3
ρ
j
= 998 kg/m
3
C
j
= 4186.8 J/kgK
X
max
= 1
K
v
= 2.5
The results are shown in the ﬁgures (1.23 . . . 1.29).
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 35
0.6 0.7 0.8 0.9 1 1.1 1.2 1.3 1.4 1.5 1.6
300
320
340
360
380
400
420
Steady state reactor temperature vs coolant flow
coolant flow (m
3
/hr)
T
(
d
e
g
r
e
e
s
)
Figure 1.23: Steady state process operational curve of CSTR
0 2 4 6 8
325
330
335
setpoint Tset
d
e
g
r
e
e
s
0 2 4 6 8
3.6
3.8
4
4.2
4.4
concentration C
k
m
o
l
/
m
3
0 2 4 6 8
325
330
335
temperature T
d
e
g
r
e
e
s
0 2 4 6 8
0
1
2
coolant flow
m
3
/
h
r
0 2 4 6 8
325
330
335
coolant temperature Tj
time (hrs)
d
e
g
r
e
e
s
0 2 4 6 8
2
3
4
5
reaction rate script−R
time (hrs)
k
m
o
l
/
m
3
h
r
Figure 1.24: Process response on step in T
set
under closedloop control
36 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
0 1 2 3
0.55
0.6
0.65
0.7
0.75
a
b
coolant flow
m
3
/
h
r
0 1 2 3
0.63
0.635
0.64
0.645
0.65
a
b
coolant flow
m
3
/
h
r
0 1 2 3
305
310
315
320
325
330
a
b
temperature T
d
e
g
r
e
e
s
time (hrs)
0 1 2 3
309.5
310
310.5
311
311.5
312
a
b
temperature T
d
e
g
r
e
e
s
time (hrs)
Figure 1.25: Responses on step in coolant ﬂow, open loop T
∗
= 310 K
0 1 2 3 4 5
1.3
1.35
1.4
1.45
1.5
a
b
coolant flow
m
3
/
h
r
0 1 2 3 4 5
1.416
1.4165
1.417
1.4175
1.418
a
b
coolant flow
m
3
/
h
r
0 1 2 3 4 5
300
310
320
330
340
350
360
370
a
b
temperature T
d
e
g
r
e
e
s
time (hrs)
0 1 2 3 4 5
359.6
359.8
360
360.2
360.4
a
b
temperature T
d
e
g
r
e
e
s
time (hrs)
Figure 1.26: Responses on step in coolant ﬂow, open loop T
∗
= 360 K
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 37
0 5 10
0.892
0.8925
0.893
0.8935
coolant flow
m
3
/
h
r
0 5 10
0.6365
0.637
0.6375
0.638
0.6385
coolant flow
0 5 10
0.9345
0.935
0.9355
0.936
0.9365
coolant flow
0 5 10
299.8
299.9
300
300.1
300.2
300.3
temperature T
d
e
g
r
e
e
s
time (hrs)
0 5 10
309.8
309.9
310
310.1
310.2
310.3
temperature T
time (hrs)
0 5 10
319.8
319.9
320
320.1
320.2
320.3
temperature T
time (hrs)
Figure 1.27: Responses on step in coolant ﬂow, open loop T
∗
= 300, 310, 320 K
0 5 10
1.2945
1.295
1.2955
1.296
coolant flow
m
3
/
h
r
0 5 10
1.5165
1.517
1.5175
1.518
coolant flow
0 5 10
1.536
1.5365
1.537
1.5375
1.538
coolant flow
0 5 10
329.8
329.9
330
330.1
330.2
330.3
temperature T
d
e
g
r
e
e
s
time (hrs)
0 5 10
339.8
339.9
340
340.1
340.2
340.3
temperature T
time (hrs)
0 5 10
349.8
349.9
350
350.1
350.2
350.3
temperature T
time (hrs)
Figure 1.28: Responses on step in coolant ﬂow, open loop T
∗
= 330, 340, 350 K
38 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
0 5 10
1.416
1.4165
1.417
1.4175
coolant flow
m
3
/
h
r
0 5 10
1.2395
1.24
1.2405
1.241
1.2415
coolant flow
0 5 10
1.059
1.0595
1.06
1.0605
coolant flow
0 5 10
359.8
359.9
360
360.1
360.2
360.3
temperature T
d
e
g
r
e
e
s
time (hrs)
0 5 10
369.8
369.9
370
370.1
370.2
370.3
temperature T
time (hrs)
0 5 10
379.8
379.9
380
380.1
380.2
380.3
temperature T
time (hrs)
Figure 1.29: Responses on step in coolant ﬂow, open loop T
∗
= 360, 370, 380 K
T
jo
T
j1
T
j2
T
i
, C
i
, φ
T
2
, C
2
T
2
, C
2
T
1
, C
1
T
j2
T
j1
Q
1
Q
3
Q
2
Q
4
Figure 1.30: Block diagram of 2 × 2 compartments CSTR model
1.7. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 39
0.6 0.8 1 1.2 1.4 1.6
300
320
340
360
380
400
420
Steady state reactor temperature vs coolant flow
coolant flow (m
3
/hr)
T
(
d
e
g
r
e
e
s
)
2 x 2 compartments
perfect mixing
Figure 1.31: Steady state process operational curve of compartimental CSTR
0 2 4 6 8
325
330
335
setpoint Tset
d
e
g
r
e
e
s
0 2 4 6 8
5
5.2
5.4
5.6
concentration C1
k
m
o
l
/
m
3
0 2 4 6 8
325
330
335
temperature T1
d
e
g
r
e
e
s
0 2 4 6 8
0
1
2
coolant flow
m
3
/
h
r
0 2 4 6 8
325
330
335
coolant temperature Tj1
time (hrs)
d
e
g
r
e
e
s
0 2 4 6 8
3
4
5
6
reaction rate script−R1
time (hrs)
k
m
o
l
/
m
3
h
r
Figure 1.32: Compartmental CSTR response on step in T
set
, closedloop control
40 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
10. Relaxing the ideally mixing assumptions The simulation model has been ex
tended by assuming a subdivision into two compartments for both the reaction vessel
and the jacket. Each compartment is assumed to be ideally mixed, and both com
partments are connected in series without backﬂow. The heat exchanging area is
subdivided into four equal parts, according to the block scheme in ﬁgure 1.30. The
model equations have been formulated for each compartment separately, taking into
account the partial volumes and heat exchange areas. The steady state process op
erational curve for the compartmental model is compared with the original model in
ﬁgure 1.31. Relaxing the ideally mixing assumption has some inﬂuence on quanti
tative steady state and dynamic characteristics, although the qualitative behaviour
is retained. Figure 1.32 shows the responses for the compartmental model under
closedloop control with step disturbance on temperature setpont. The responses
show considerable agreement in their form with those of ﬁgure 1.24, although the
steady state values diﬀer.
1.8 Literature for this Chapter
Basic technical and philosophical ideas of modelling as given in section 1.1 can be found in
Kalman [27], Kwatny and Mablekos [29], [30], Golomb [19], Profos [42] or Bub and Lugner
[10]. A system theory that deﬁnes physical models without a priori distinction between
inputs and outputs has been proposed by Willems [52]; see also the earlier work [51], and
the full treatment in Polderman and Willems [39].
The formulation of conservation laws for the general microscopic and macroscopic situations
and for a variety of boundary conditions and coordinate frame descriptions are discussed
in Himmelblau and Bischoﬀ [23] and in Bird et al. [9]. The two volumes (in Dutch) on
transport phenomena by Van den Akker and Mudde [46] and by Hoogendoorn and Van der
Meer [25] provide background on the formulation of basic relations for process models.
The details of the modelling of process heat and mass transfer can be found in books like
Welty, Wicks and Wilson [49] or Hewitt, Shires and Bott [22].
Introductory treatments of process modeling are Guy [20], Roﬀel and Rijnsdorp [44], and
Kecman [28]. The role of dynamic modelling in control engineering is considered in Profos
[43]. Ljung and Glad [31] consider some elementary dynamic modelling issues in their re
lationship with system identiﬁcation.
Modelling from a fundamental chemical engineering point of view is considered in Eigen
berger [14], Marquardt [34] and Marquardt and Zeitz [36]. Systematic approaches for model
development can be found in Lohmann and Marquardt [32], Marquardt [35], and of phase
equilibrium process modeling are addressed in Ponton and Gawthrop [40], and an approach
towards hybrid models is provided in Barton and Pantelides [8]. A systematic way to for
mulate process models has been developed in Preisig and Kimmich and Rippin [41], Weiss
and Preisig [48], and Westerweele [50].
The basic techniques of chemical process modelling are treated in Hartmann and Kaplick
[21], Luyben and Wenzel [33], and in Ingham, Dunn and Heinzle [26]. Process modelling
for process control is treated in Ogunnaike and Ray [37]. Classical references on process
modelling are Franks [16], [15], Friedly [17], Aris [1], Aris [2] and Denn [12], [13].
Further discussions can be found in Paynter [38], Asbjornsen [5], [6], Sargent [45], and
Georgakis [18]. The continuous stirred tank reactor has been studied in the classical work
of Aris and Amundson [3], [4]. The multiplicity of steady states has been studied by many
researchers, e.g., Hlavacek, Kubicek and Visnak [24], Varma and Amundson [47], Balako
taiah and Luss [7], and Cicarelli and Aris [11].
1.8. LITERATURE FOR THIS CHAPTER 41
References
[1] R. Aris. Mathematical Modelling Techniques. Pitman Publishing Ltd., London, UK,
1978.
[2] R. Aris. Method in the modeling of chemical engineering systems. In C. T. Leondes,
editor, Control and Dynamic Systems, volume 15, pages 41–98. Academic Press, New York,
NY, 1979.
[3] R. Aris and N. R. Amundson. An analysis of chemical reactor stability and control. I.
The possibility of local control, with perfect or imperfect control mechanisms. Chemical
Engineering Science, 7:121–131, 1958a.
[4] R. Aris and N. R. Amundson. An analysis of chemical reactor stability and control. II.
The evolution of proportional control. Chemical Engineering Science, 7:132–147, 1958b.
[5] O. A. Asbjornsen. Modeling techniques: theory and practice. Modeling Identiﬁcation
and Control, 6:105–125, 1985.
[6] O. A. Asbjornsen. A systems engineering approach to process modeling. In D. M. Prett
and M. Morari, editors, The Shell Process Control Workshop. Process Control Research:
Industrial and Academic Perspectives, Houston TX, dec. 1518, 1986., pages 139–182. But
terworth Publ., Boston, MA, 1987.
[7] V. Balakotaiah and D. Luss. Analysis of the multiplicity patterns of a CSTR. Chemical
Engineering Communications, 13:111–132, 1981.
[8] P. I. Barton and C. C. Pantelides. Modeling of combined discrete/continuous processes.
AIChE Journal, 40:966–979, 1994.
[9] R. B. Bird, W. E. Stewart, and E. N. Lightfoot. Transport Phenomena. John Wiley
and Sons, Inc., New York, NY, 1960.
[10] W. Bub and P. Lugner. Systematik der Modellbildung. Teil 1: Konzeptionelle Mod
ellbildung. In I. Troch, editor, Modellbildung f¨ ur Regelung und Simulation: Methoden
WerkzeugeFallstudien, GMA Aussprachetag, Langen, BRD, 2526 M¨ arz 1992. VDI Ber.
Nr. 925., pages 1–18. VDI Verlag, D¨ usseldorf, 1992.
[11] P. Cicarelli and R. Aris. Continuous reactions in a nonisothermal CSTR I. Multi
plicity of steady states. Chemical Engineering Science, 49:621–631, 1994.
[12] M. M. Denn. Modeling for process control. In C. T. Leondes, editor, Control and
Dynamic Systems, volume 15, pages 147–194. Academic Press, New York, NY, 1979.
[13] M. M. Denn. Process Modeling. Longman Scientiﬁc and Technical, Harlow, Essex,
UK, 1986.
[14] G. Eigenberger. Modelling and simulation in industrial chemical reaction engineering.
In K. H. Ebert and P. Deuﬂhard, editors, Modelling of Chemical Reaction Systems. Proc.
Int. Workshop, Heidelberg, FRG, September 15, 1980., pages 284–304. Springer Verlag,
Berlin, 1981.
[15] R. G. E. Franks. Mathematical Modeling in Chemical Engineering. John Wiley and
Sons, Inc., New York, NY, 1967.
42 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
[16] R. G. E. Franks. Modeling and Simulation in Chemical Engineering. John Wiley and
Sons, Inc., New York, NY, 1972.
[17] J. C. Friedly. Dynamic Behavior of Processes. Prentice Hall, Inc., Englewood Cliﬀs,
NJ, 1972.
[18] C. Georgakis. On the use of extensive variables in process dynamics and control.
Chemical Engineering Science, 41:1471–1484, 1986.
[19] S. W. Golomb. Mathematical models: uses and limitations. IEEE Transactions on
Reliability, 20:130–131, 1971.
[20] J. L. Guy. New CE Refresher: Process Dynamics. McGrawHill Book Co., New York,
NY, 1983.
[21] K. Hartmann and K. Kaplick. Analysis and Synthesis of Chemical Process Systems.
Elsevier Publ., Amsterdam, The Netherlands, 1990.
[22] G. F. Hewitt, G. L. Shires, and T. R. Bott. Process Heat Transfer. CRC Press, Boca
Raton, FL, USA, 1994.
[23] D. M. Himmelblau and K. B. Bischoﬀ. Process Analysis and Simulation. Deterministic
Systems. John Wiley and Sons, Inc., New York, NY, 1968.
[24] V. Hlavacek, M. Kubicek, and K. Visnak. Modelling of chemical reactors XXVI.
Multiplicity and stability analysis of a continuous stirred tank reactor with exothermic
consecutive reactions A →B →C. Chemical Engineering Science, 27:719–742, 1972.
[25] C. J. Hoogendoorn and T. H. Van der Meer. Fysische Transportverschijnselen II.
Delftse Uitgevers Maatschappij, Delft, Nederland, 1991.
[26] J. Ingham, I. J. Dunn, and E. Heinzle. Chemical Engineering Dynamics. Modelling
with PC Simulation. VCH Verlagsgesellschaft, Weinheim, W.Germany, 1994.
[27] R. E. Kalman. Comments on the scientiﬁc aspects of modeling. In M. Marois, ed
itor, Towards a Plan of Actions for Mankind, pages 493–505. NorthHolland Publishing
Company, Amsterdam, 1974.
[28] V. Kecman. StateSpace Models of Lumped and Distributed Systems, volume 112 of
Lecture Notes in Control and Information Sciences. Springer Verlag, Berlin, 1988.
[29] H. G. Kwatny and V. E. Mablekos. The modeling of dynamical processes. In Proceed
ings of the 1975 IEEE Conference on Decision and Control, Houston, Texas, USA, 1012
December 1975., pages 271–281. IEEE, New York, NY, 1975.
[30] H. G. Kwatny and V. E. Mablekos. On the modeling of dynamical processes with
applications in power systems engineering. In L. H. Fink and K. Carlsen, editors, Sys
tems Engineering for Power: Status and Prospects, Engineering Foundation Conference,
Henniker, NH, USA, August 1722, 1975., pages 368–392. NTIS, Springﬁeld, 1975.
[31] L. Ljung and T. Glad. Modeling of Dynamic Systems. Prentice Hall, Inc., Englewood
Cliﬀs, NJ, 1994.
[32] B. Lohmann and W. Marquardt. On the systematization of the process of model
development. Computers and Chemical Engineering, 20:S213–S218, 1996.
1.8. LITERATURE FOR THIS CHAPTER 43
[33] W. L. Luyben and L. A. Wenzel. Chemical Process Analysis: Mass and Energy Bal
ances. Prentice Hall, Inc., Englewood Cliﬀs, NJ, 1988.
[34] W. Marquardt. Dynamic process simulation: Recent progress and future challenges.
In Y. Arkun and W. H. Ray, editors, Chemical Process Control  CPC IV, Proceedings of
the 4th Engineering Foundations Conf., South Padre Island, TX, USA, feb. 1722, 1991.,
pages 131–180. American Institute of Chemical Engineers, New York, 1991.
[35] W. Marquardt. Towards a process modeling methodology. In R. Berber, editor, Meth
ods of Model Based Process Control, Proceedings of the NATO Advanced Study Institute,
Antalya, Turkey, august 717, 1994, pages 3–40. Kluwer Publ., Dordrecht, the Netherlands,
1995.
[36] W. Marquardt and M. Zeitz. Rechnergest¨ utzte Modellbildung in der Verfahrenstech
nik. In I. Troch, editor, Modellbildung f¨ ur Regelung und Simulation: MethodenWerkzeuge
Fallstudien, GMA Aussprachetag, Langen, BRD, 2526 M¨arz 1992. VDI Ber. Nr. 925.,
pages 307–341. VDI Verlag, D¨ usseldorf, 1992.
[37] B. A. Ogunnaike and W. H. Ray. Process Dynamics, Modeling, and Control. Oxford
University Press, Inc., New York, NY, USA, 1994.
[38] H. M. Paynter. Thermoﬂuid process dynamics in boiler modeling. In D. A. Berkowitz,
editor, Proceedings of the Seminar on Boiler Modeling, Bedford, MA, USA, nov. 67, 1974.,
pages 187–206. The MITRE Corporation, Bedford, MA, USA, 1975.
[39] J. W. Polderman and J. C. Willems. Introduction to Mathematical Systems Theory.
A Behavioural Approach. Springer Verlag, New York, NY, 1998.
[40] J. W. Ponton and P. J. Gawthrop. Systematic construction of dynamic models for
phase equilibrium processes. Computers and Chemical Engineering, 15:803–808, 1991.
[41] H. A. Preisig, M. Kimmich, and D. W. T. Rippin. A study of dynamic system mod
elling. Computers and Chemical Engineering, 12:455–460, 1988.
[42] P. Profos. Some considerations on theoretical process modeling. Trans. ASME /
Journal of Dynamic Systems, Measurement, and Control, 94:282–284, 1972.
[43] P. Profos. Modellbildung und ihre Bedeutung in der Regelungstechnik. In R. Iser
mann, editor, Prozessmodelle 1977. Modellbildung und Identiﬁkation technischer Prozesse.
Tagung Wiesbaden, 25 und 26 April 1977. VDIBerichte Nr. 276, pages 5–12. VDI Verlag,
D¨ usseldorf, 1977.
[44] B. Roﬀel and J. E. Rijnsdorp. Process Dynamics, Control, and Protection. Ann Arbor
Science Publishers, Ann Arbor, MI, USA, 1982.
[45] R. W. H. Sargent. Advances in modelling and analysis of chemical process systems.
Computers and Chemical Engineering, 7:219–237, 1983/84.
[46] H. E. A. Van den Akker and R. F. Mudde. Fysische Transportverschijnselen I. Delftse
Universitaire Pers, Delft, Nederland, 1996.
[47] A. Varma and N. R. Amundson. Some observations on uniqueness and multiplicity of
steady states in nonadiabatic chemically reacting systems. Canadian Journal of Chemical
Engineering, 51:206–226, 1973.
44 CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
[48] M. Weiss and H. A. Preisig. Structural analysis in the dynamical modelling of chemical
engineering systems. Mathematical and Computer Modelling of Dynamical Systems, 6:325–
364, 2000.
[49] J. R. Welty, C. E. Wicks, and R. E. Wilson. Fundamentals of Momentum, Heat, and
Mass Transfer. 3rd Edition. John Wiley and Sons, Inc., New York, NY, 1984.
[50] M. R. Westerweele. Five steps for building consistent dynamic process models and
their implementation in the computer tool Modeller. PhD thesis, Technische Universiteit
Eindhoven, 2003.
[51] J. C. Willems. System theoretic models for the analysis of physical systems. Ricerche
di Automatica, 10:71–106, 1979.
[52] J. C. Willems. Paradigms and puzzles in the theory of dynamical systems. IEEE
Transactions on Automatic Control, 36:259–294, 1991.
2
CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS experimental data acquisition, data processing, and model validation are known under the headings of experimental modelling, empirical modelling or system identiﬁcation. 2. Theoretical modelling. Using the accepted theory of the underlying sciences, equations are derived that describe the basic behaviour of our system or process. In general the equations involved will be conservation laws or other relations that have been derived from ﬁrst principles. Additionally, we need to describe the physical properties and other relevant descriptions of the materials in the system or process. Thus, the underlying theories that we accept to build the model are our basic axioms and assumptions in the logical process of model construction. This approach will be called theoretical or fundamental model building. It is also known under the name physical modelling.
The steps to be followed in experimental model formulation in general require a considerable amount of a priori knowledge. This a priori knowledge must be brought in a format such that certain basic decisions regarding variables, experiments, and responses can be taken with the required conﬁdence. This implies that we must execute certain steps in the process of theoretical modelling in order have a suﬃcient basis for experimental model formulation. Thus the second approach can be considered as the natural starting point for any model building activity. Additionally, in many cases the ﬁrst approach is the natural sequel to the second approach in the sense that it allows to verify or validate the structure and parameters in a formulated model, or it may enhance and amplify certain insuﬃciently understood or incompletely quantiﬁable parts of a fundamental model. In these notes an approach to theoretical model formulation will be covered. In several cases the connections with certain aspects of experimental modelling will be discussed. The process of modelling is widely applied in many ﬁelds in science and engineering. However, the amount of knowledge available for the formulation of theoretical models is diﬀerent in the various ﬁelds. In many ﬁelds of engineering there is suﬃcient knowledge available to formulate simple overall models that describe the behaviour of systems and processes. However, for example in chemical process engineering the operation of most chemical process equipment is so complicated that the detailed behaviour of chemical processes can only in part be described accurately by mathematical models based upon our present knowledge. Thus there are severe limits in our ability to formulate theoretical models for engineering systems. In many cases the use of experimental modelling techniques is a requirement that by necessity complements the theoretical approach. In these notes the formulation of models is aimed at obtaining a description of the dynamic behaviour of processes under transient conditions. This implies that we will formulate the equations of motion of the process variables that describe the evolution of the process as a function of time. Our models will formulate the process dynamics in a form as required for the understanding of process operations such as startup and shutdown, or for studying the transitions from one operating condition to another one as, e.g., required by grade changes in a production plant or by changes in the composition of the feedstock. Process dynamic models also are of great importance for providing control engineers with qualitative and quantitative descriptions of the transient behaviour of processes that are to be used in model based control system design. By its proper nature, a model is limited in the sense that the real world is approximated by deﬁnition. Only those properties and phenomena that are relevant to the purpose of the model should be included in the model. The real world is so highly detailed, and possesses a rich complexity, that even a small part of the real world can never be exactly represented in an isomorphic mapping sense by a single mathematical model, notwithstanding its high
1.2. THE FORMAL STEPS OF THE MODELLING PROCESS
3
number of equations and its great ﬁdelity. Thus the process of model building is fundamentally a process of making appropriate and clever approximations. This fact forces the modeller to consider the object of his activity from an overall point of view and from a certain distance. He must have an overview over the most important physical phenomena in this object, evaluated from the point of view of the intended use or the foreseen purpose of the model. The modeller must have an attitude that enables him to make decisions regarding the most important phenomena to be embodied in the model. For this reason, we must consider the process of modelling as a decision process. A model can be deﬁned as a “small representation of a planned or existing object”. The adjective “small” connotes the central idea that a model is something less than reality. Thus, in the sciences, models are sought which illuminate natural phenomena. The objective is to strip away all phenomena that are not thought to be essential in view of the intended use of the model. Thus a model must be able to explain those phenomenological patterns of interest in terms of a set of easily understood elements. In this context a model is a theory which constitutes a set of propositions or laws from which may be deduced those facts which are exhibited in the real system or process under consideration. More fundamentally, a theory must explain the less comprehensive laws, established by observation of reality, in the sense of introducing ideas which are more familiar or, in some way, more acceptable. Moreover, theory must predict new laws and these laws must turn out to be true. This last notion illustrates sharply the approach that has come to be called the scientiﬁc method. The scientiﬁc method of establishing an understanding of any physical phenomena is generally identiﬁed as consisting of the following three phases: • Initial observation • Formulation of a theory (in our language, a model) • Experimentation (model (in)validation) and prediction of new observations (model use) The completion of the last stage will in many cases suggest reﬁnements to the theory (model), and the process is repeated. The emphasis on observations and experiments has its roots in the empiricist philosophy which has been at the heart of modern science.
1.2
The Formal Steps of the Modelling Process
The scientiﬁc formalization of the approach to modelling sketched in the preceding section can now be formulated and involves the following main features. 1. Deﬁning the problem. The purpose of the model must be formulated and clariﬁed. This requires a certain mature familiarity of the modeller with the object to be modelled. Also an understanding of the future model use will help in deciding which properties of reality should be represented in the model. In general the modeller must make decisions regarding the desired degree of detail in the model. Higher granularity in general implies a higher amount of complexity, and in many cases the dominant phenomena in the model can be represented with higher accuracy than the minor details. Representing these details may be counterproductive in terms of the intended use of the model. Thus unnecessary high detailing should be avoided.
4
CHAPTER 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS
z(t) u(t) m input variables r internal variables system surroundings Figure 1.1: The system concept requiring r independent model equations 2. Deﬁne system boundaries and interconnecting variables. The process of modelling is aimed at describing only a part of the real world. The system boundary deﬁnes in its interior the system as opposed to its exterior which are the surroundings. The modeller himself is part of the surroundings. The system and its surroundings are coupled through signals which are process variables that originate in the surroundings or in the system. Those variables that originate in the surroundings and inﬂuence the system by exerting an action upon the system by passing across the system boundary are called input variables contained in a vector u(t). We consider these inﬂuences in a causal fashion, i.e., such that the cause precedes in time the eﬀect. A system is called causal if past and present internal and/or output variables do not depend on future input values. From a modelling point of view there is no distinction between the input variables that can be manipulated at will, and those input variables that occur in the surroundings as a result of unmodelled processes or of which the origin or cause is not exactly known (disturbances). Finally, those variables that are the result of the relationships within the system and which pass outwards across the system boundary such that they become available to the surroundings are called the output variables of the system, contained in the vector y(t). All variables that occur in the system and that are not included in the set of input variables are called the internal variables, represented by the vector z(t). See the representation in the ﬁgure 1.1. In general, the total set of variables in a model setup is the sum of the input variables and the internal variables. The output variables are to be considered as a subset of this total set of variables. Note that the formulation of a mathematical model by its very nature yields a set of variables that constitute the total set of variables mentioned before. If this total set of variables is available as a result of the initial modelling decisions, then it is a decision of the modeller to assume which subset of these variables is speciﬁed by the surroundings and thus constitutes the set of input variables. The remaining variables are the internal variables. As the input variables are speciﬁed by the surroundings (i.e., by the modeller), these variables must be considered as known variables in our problem setup. Then our model must be able to (uniquely) determine the internal variables, given the input variables. This implies that in general we must have a number of (independent) model relations that equals the number of internal variables. 3. Development of a conceptual model. Once the model variables have been preliminarily identiﬁed, the next step is the development of a conceptual physical model, y(t) output variables
.1. a modeller’s intuition can only keep track of a limited number of phenomena simultaneously. the number of internal variables should be equal to the number of (independent) model relationships available for each subsystem. momentum and mass. Further conﬁdence in the model can be gained by solving the model equations for well considered input signals (simulation). that the interconnection of the various subsystems should be consistent. 6. In many cases. 7. In this step the real physics in the process are replaced by a simpliﬁed hypothetical physical representation. THE FORMAL STEPS OF THE MODELLING PROCESS 5 containing only those phenomena which are considered as relevant to the intended use of the model. Formulation of model hypotheses. Mathematical simpliﬁcations and approximations. and independence of the set of model equations can be established. Certain basic a priori requirements of a model can be investigated. and by observing the behaviour of the internal and output variables. The interconnection of all subsystems gives rise to the original system. and conditioning with respect to possible numerical implementation for simulation purposes. The precise assumptions needed to arrive at this simpliﬁed representation are to be formulated in a number of model hypotheses or model assumptions. This will be greatly counterbalanced in general by the increase in model simplicity. the conceptual model only consists in the mind of the modeller. The model can be verbally described. with descriptions of the thermodynamic and other physical properties of the materials in the process. and the relevance of incorporating or neglecting certain phenomena can be discussed. The subsystems thus deﬁned must satisfy individually the requirements of a wellposed system. These equations will be complemented with rate equations for mass and heat transfer. 8. 5. By exercising with the model in this way. In its most simple fashion. On the basis of these ﬁndings it can be decided to simplify or to approximate the mathematical representation of the system. This implies amongst other things. 4. Formulation of conservation laws and other mathematical equations. Numerical solution of the model equations.2. Also further properties such as stability. and the inputs and outputs of the original system should be contained in the various inputs and outputs of the subsystems. and containing a set of parameters that ﬁx the model behaviour quantitatively. In a certain sense the predictive power of the resulting model is reduced by adapting its properties to the speciﬁc situation at hand. For this reason it can be beneﬁcial to split up the complete process into a number of parts by formulating spatial boundaries by which subsystems are created. The chosen degree of simpliﬁcation determines the character of the mathematical relationships that will ﬁnally represent the physical phenomena. time scales. such as the properties of causality. The result is a set of algebraic and diﬀerential equations having a certain mathematical stucture. A thorough knowledge of the physics of the process plus intuition gained from practical experience is valuable and important in this step. and with all other fundamental or correlationsbased relationships that are needed in order to arrive at a physically and mathematically consistent model. The mathematical model can be examined for its properties. simulation. The hypotheses formulated in the previous steps must enable now to write down (if appropriate) the basic conservation laws for energy. Decomposition into subsystems. the model can inspire conﬁdence or the modeller can experience certain weaknesses of the model formulation. continuity.
outputs determine relevant phenomena and formulate model hypotheses formulate conservation laws and other model relations ⇐= ⇐= =⇒ mathematical approximations experimental model validation yes. Stated verbally. These equations apply both in the steady state and under unsteady state conditions. Consider a system deﬁned by its (ﬁxed) macroscopic control surface or system boundary S. Moles can be converted to mass units by multiplying by the molar mass which has units of kg/mole.02 × 1023 ) of molecules. Comparison of predicted model responses and similar responses obtained at the real system may provide the ﬁnal proof of conﬁdence needed to validate a model. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS reality ⇓ process under consideration ⇓ system and surroundings deﬁned ⇓ conceptually simpliﬁed physical model ⇓ mathematical model having structure and parameters ⇓ simpliﬁed mathematical model ⇓ model satisﬁes requirements ? ⇓ no.3 Formulation of Conservation Laws for Process Models The equations of conservation of some quantity (mass.1: Basic decisions in the modelling procedure 9.6 CHAPTER 1. momentum. A mole of a species contains Avogadro’s number (6. energy) are fundamental laws of nature. 1.2. These are integral balance equations that are applied to a volume inside a macroscopic control surface. Validation of the model and its hypotheses.3. We ﬁrst will consider macroscopic conservation laws for mass and energy. It must be stressed that the experiments must be representative for the intended purpose of the model. 1. a macroscopic . enclosing a (macroscopic) volume V as shown in ﬁgure 1. The main steps of the approach are listed in table 1.1 Conservation of mass The density and concentration of a chemical species that possibly reacts are often measured in moles per unit volume. model ready for use Table 1. inputs. return to previous steps ⇐= ⇐= ⇐= ⇐= intended model purpose select system boundary. as opposed to microscopic conservation laws that are formulated for an inﬁnitesimal or elemental volume.1.
Consequently. and not the amount of accumulated mass itself.1) describes the rate of change per unit time of the accumulated mass of A within the volume V : d dt V ρA dV (1. we must consider the righthand side of equation (1. This can be achieved by assuming that there exists a physical mechanism that creates so much interchange of material over the volume V that ρA has virtually the same value over V . Let ρA denote the density of species A.1) Note that the lefthand side of (1. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS system boundary S 7 mass ﬂow in φin ρAin mass ﬂow out φout ρA perfectly mixed volume V surroundings Figure 1. under the assumption of V being perfectly mixed. our macroscopic conservation law for mass reads V dρA = dt φk ρAk + G k (1.3. the density ρA should be considered as having the same value over the whole volume V . Thus. In terms of cause and eﬀect.3) . In fact the integral expression performs a summation over all elementary volume parts dV of the contribution of each ρA dV to the total accumulation of mass of A.1. This formulation in fact does not reﬂect the overall character of the macroscopic balance and is not practical. One possible assumption is that V behaves as if it were perfectly mixed.1) as the cause. creating an eﬀect in terms of a variation of overall accumulated mass in the lefthand side. Our macroscopic conservation law determines the overall accumulation and thus does not provide a mechanism to deal with spatially varying accumulation phenomena.2) This form of the lefthand side allows the density to have varying values over the macroscopic volume V .1) speciﬁes the rate of change of mass accumulation within the control volume V .2: System boundary for macroscopic mass balance conservation law for mass for a chemical species A within the volume V reads: d dt N et accumulation of A in V = N et transport of A through S + N et generation of A in V (1. then the accumulation term in the lefthand side of the equation (1.
Purpose of the model: To describe the behaviour in time of the ﬂuid level h(t) varying with the purpose of buﬀering variations in input mass ﬂow 2. and G denotes the generation of species A per time unit within V . the density ρA has the same value over the whole volume V . the actual equations may have other forms than equation (1. The assumption of an ideally mixed ﬂuid implies that it is assumed that each element in the volume V will vary in time in exactly the same fashion.3) for mass reads dρA = φi ρAi − φo ρA + G (1. φi . we still can have variations of accumulated mass within the system. System boundary: Around the vessel 3.8 CHAPTER 1. 1. It also implies that any outward ﬂow across the boundary S has a density that equals ρA .3. and thus we consider positive values for the ﬂows in the direction given by the arrows in ﬁgure 1. φo . Under the assumption that the density ρ of the ﬂuid is constant. whereas this value may vary in time.and outgoing ﬂow. the macroscopic conservation law (1. Note that under the assumption that the volume V behaves as a perfectly or ideally mixed ﬂuid.1) is maintained. respectively. V 1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS system boundary S A h(t) φi (t) φo (t) Figure 1. i. As there apparently is no mechanism inside the system boundary to determine φi and φo .3.4) dt where now the negative sign of the outwardbound ﬂow has been explicitly formulated in the expression. h.3) or (1. e. The k is supposed to run over all ﬂows that cross the system boundary.4) depending upon the structure of the system under consideration.3..e.. φk are positive and negative for in. as the following example shows. The steps to be executed for modelling this process are as follows. φo are inputs and h is output. While the general principle of the conservation law (1. .2 Example: Mass accumulation in vessel Consider the simple ﬂow system shown in ﬁgure 1. In this expression.3: Fluid buﬀering vessel where the φk denote the volumetric ﬂows across the boundary S each having density ρAk . Thus for one ﬂow in and one ﬂow out. these variables are supposed to be determined by the surroundings. as a result of chemical reaction.g. Variables across boundary: φi .
3.6: Fluid buﬀering vessel with outward ﬂow controlled by valve . FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 9 φi (t) φo (t) vessel model h(t) Figure 1.5: Internal structure of model for ﬂuid buﬀering vessel system boundary S A h(t) X(t) φi (t) pi (t) φo (t) po (t) Figure 1.1.4: Block diagram of inputs and outputs of ﬂuid buﬀering vessel φi (t) + − initial h(0) 1 A h(t) φo (t) Figure 1.
the velocity of the ﬂuid inside the vessel is slow so that local variations in ﬂuid level can be ignored. and g is the gravitational accelleration.10 CHAPTER 1. where hmax indicates the height of the vessel. that the ﬂow through the valve is turbulent. if in reality the ﬂow φo depends on the value h. at this stage it is useful to reconsider the assumptions and starting points of the modeling exercise. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS h(t) φi (t) X(t) vessel + valve pi (t) φo (t) Figure 1. X.8) where Av [X(t)] represents the valve crosssectional area as a function of valve position X(t). the model (1.6) (1. 6.6) can be depicted by the block diagram in ﬁgure 1. Also observe that the system is not asymptotically stable.6 represents the situation where the outgoing ﬂow is determined by the valve opening and by the pressure diﬀerence across the valve. We assume that the ﬂuid pressure behind the valve po is atmospheric. then one might wish to include this relationship in the model. This indicates. the vessel cross sectional area A is constant. K is the valve coeﬃcient. The model now consists of equation (1.6) is only valid for h(t) ≥ 0 and h(t) ≤ hmax . h where X represents the input command determining valve position. φo . A simulation of this process should include these bounds. and one for the overﬂow case. Model satisﬁes requirements ? In retrospect. as is the pressure above the ﬂuid level. Figure 1. Model hypotheses: the ﬂuid is incompressible. For instance. This pressure drop is proportional to the ﬂuid level. 5.4 and by the structural representation in ﬁgure 1. as the (open) integrator may give an unbounded response for bounded inputs.6) should be replaced by a diﬀerent one. and to make modiﬁcations if desired. If one of the bounds is reached.5.5) Note that the model (1. Conservation law: Mass balance d (ρAh(t)) = ρφi (t) − ρφo (t) dt which can be written in diﬀerential equation (state space) form: 1 1 dh(t) = φi (t) − φo (t). We have the following 5 variables: φi . one for the empty vessel case.7: Inputs and outputs of ﬂuid buﬀering vessel with outward ﬂow determined by valve 4. proportional to the square root of the pressure drop across the valve. We assume further. Equation .6) and the following two relations: φo (t) = KAv [X(t)] pi (t) = ρgh(t) pi (t) (1. that the model represented by equation (1. pi . dt A A h(0) = h0 (1.7) (1.
6 1.6 x 10 −3 flow out 11000 10000 9000 N/m2 valve inlet pressure m3/s 8000 7000 6000 5000 0 5000 10000 time (s) −−> 15000 4000 0 5000 10000 time (s) −−> 15000 Figure 1.8 0 5000 10000 15000 0.4 m2 1.7 0.1 1 0. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 11 φi (t) + − initial h(0) dh(t) dt 1 A h(t) K φ0 (t) ∗ pi (t) Av (t) ρg pi (t) Av (X) X(t) Figure 1.8 0.9: Response of ﬂuid buﬀering vessel on step in valve opening .8 m 0.3.4 0 5000 10000 15000 1.6 0.4 1.6 1.2 1 0.9 0.8: Internal structure of model of vessel and valve x 10 1.2 1 −3 valve area 1.5 level 0.1.
5 x 10 2 4 flow out 10000 valve inlet pressure 10 N/m2 0 0.5 x 10 2 4 Figure 1. valve opening ﬁxed . BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS 12 x 10 −4 flow in 1 level 10 0.5 x 10 12 x 10 −4 6 4 2 4 0 0. valve opening ﬁxed x 10 3 m3/s 2 1 0 −3 flow in 0 −3 x 10 3 m3/s 2 1 0 0 1.11: Buﬀering vessel: response on stochastic inlet ﬂow variations.5 1 time (s) −−> 1.8 m3/s 8 m 0.10: Response of ﬂuid buﬀering vessel on step in inlet ﬂow.5 x 10 2 4 8000 6000 4000 2000 m3/s 8 6 4 0 0.5 5000 flow out 10000 15000 5000 level 10000 15000 m 1 0.4 0.2 0 0.5 1 time (s) −−> 1.5 1 1.6 0.5 1 1.12 CHAPTER 1.5 0 5000 time (s) 10000 15000 Figure 1.
Figure 1.. 7. not to change in relation to the variables considered in the process.7) represents the ﬂow through the valve and equation (1. The resulting value for h∗ is 1/(0. i. As φo . This is in accordance with our physical imagination. thus two variables should act as inputs.98)2 = 1.01 φ∗ = 0.e. At the left interconnection. its output is the multiplication of all (three) input variables. The following parameters have been used: A = 1. we see that the representation of the conservation law represented in ﬁgure 1. We have 5 internal variables and 3 model relations. φo .0 m2 g = 9.9 shows responses of ﬂow out and ﬂuid level on step disturbances in the valve position.8. the block indicated by the square root sign determines its output as the square root of its input. the block indicated by (∗) represents a multiplication block. Figure 1. i. and pi (t). The model expresses this coupling by assuming the pressure at the right interconnection po to be atmospheric.8 m/s2 ∗ = 0. • The process is bilaterally coupled to the neighbouring ﬂow system to the left and to the right.0412. This means that there is a mutual information exchange between the process and the adjacent systems at both sides. which are considerably reduced in the outlet ﬂow. does not satisfy the superposition principle. now there is a feedback loop around the integrator. i.. and h are determined by the model relations.3. • Thus we may expect that the system will be asymptotically stabilized by the feedback relationship. Similarly.e.. Figure 1.11 shows the buﬀering capabilities of the vessel for fast stochastic variations in input ﬂow. FORMULATION OF CONSERVATION LAWS FOR PROCESS MODELS 13 (1.e. Simnon or Simulink). there is negative feedback. i. are assumed to be determined by the surroundings of the process.8) determines the actual pressure drop across the valve. The nonlinear behaviour causes diﬀerent responses for the positive and negative step inputs. Thus φo (t) can vary without causing a response in po (t).001 m2 Av ρ = 980 kg/m3 K = 0.5 with ﬁgure 1. The following observations can be made: • Comparing ﬁgure 1.8. However. • The sign of the feedback path is such that an increase in accumulation of mass will increase the outﬂow of mass.g.5 is contained in ﬁgure 1. and our model determines the reaction in pi (t) which acts as an input variable for the upstream process.10 shows for ﬁxed valve position the response to inlet ﬂow step disturbances. The block diagram with input and output variables. respectively. φi (t) is assumed to be determined by the upstream ﬂow process.1. This implies that a permanent change in inﬂow φi or valve position X(t) will lead to new equilibrium values for h(t). Numerical solution of the equations: The block diagram of ﬁgure 1.e.e. • In ﬁgure 1.. i.001 m3 /s o where the asterix values indicate the used steady state. These blocks represent nonlinear signal operations and show that the represented system is nonlinear.8.7 and 1. pi .8 can directly be used in a simulation tool for continous systems (e. . and an internal representation of the model structure are given in ﬁgures 1.. we can assume φi and X to be input variables..8.
See for example chapter 5 in Denn [13]. In many cases where the energy balance is dominated by thermal eﬀects.12 and the energy balance is dT (t) = φρCp [Ti (t) − To (t)] (1. summing all heat balance contributions in the total volume V . and Tk (t) are the temperatures of the volumetric ﬂows φk (t) through the surface S. respectively. each particle within V V ρCp . 1. we have explicitly or implicitly assumed that all ﬂuid particles inside V behave identically in time.10) dt Note that this is a macroscopic overall balance equation.4 Example: Energy accumulation in vessel For the case of one ﬂow in and one ﬂow out. having positive and negative values for inﬂow and outﬂow.3. as if V were perfectly mixed.3. the kinetic and potential energy terms can be neglected.e.3 Conservation laws for energy The formulation of correct energy balances is not a trivial matter..13: Internal structure of energy balance model for mixing vessel 1. Note that the above conservation law is a macroscopic balance.12: Process vessel under ideal mixing assumption initial T (0) Ti (t) + − φ V dT (t) dt T (t) Figure 1. T (t) is the timevarying temperature within the control surface. i. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS S φ Ti (t) V φ T (t) To (t) Figure 1. the process is shown in ﬁgure 1.9) where V is the volume within a ﬁxed control surface S. kinetic and potential energy terms. Due to this overall summation. the total energy of a system consists of the internal. In general. A simple energy balance without generation phenomena for a onephase incompressible ﬂuid of constant density ρ and constant speciﬁc heat Cp in a constant volume V reads d (V ρCp T (t)) = dt φk (t)ρCp Tk (t) k (1.14 CHAPTER 1.
one could resort to the formulation of microscopic conservation laws. δz) in V . The formulation of a conservation law for the elemental volume (δx.8 0 1 outlet temperature 2 3 time (hrs) 4 5 Figure 1.4 50. δy. δz approach zero.4. MICROSCOPIC CONSERVATION LAWS inlet temperature 100 90 degrees 80 70 60 50 0 1 2 3 4 5 0.02 width degrees 51.14 shows the temperature responses for a vessel with time constant (average residence time) τ = 1 hour.8 50.e. The equation is a linear ﬁrstorder diﬀerential equation.1.6 50.2 50 49. δy.6 50. and subsequently letting the δx.4 Microscopic Conservation Laws In the case that a concentration..6 50.12) which in physical terms equals the average residence time of particles ﬂowing through the vessel. it is not useful to formulate a macroscopic (integral) balance over the total volume V . which in this case implies that the system is asymptotically stable. in a ﬁrstorder diﬀerential equation form with only a time derivative of a state variable in the lefthand side: φ dT (t) = [Ti (t) − T (t)] dt V (1. The ﬁgure 1. 1.4 50. yields a microscopic conservation law having the format of a partial diﬀerential equation.4 50. if a volume V cannot be assumed to behave like ideally mixed. temperature or any particlesrelated quantity can not be assumed to be uniform over the volume V inside a control surface S. The resulting energy balance can be written in statespace form.13.2 51 50.14: Temperature response of mixing vessel on inlet temperature impulse and step has temperature T (t). .2 51 50.2 50 49. In other words. The eﬀect of the feedback loop shows a negative sign. This corresponds to the assumption of an ideally mixed internal ﬂow pattern.8 0 1 2 3 4 5 inlet temperature 15 outlet temperature 51.8 50.2 51 50. possibly varying in time but spatially uniform.8 0 1 2 3 time (hrs) 4 5 degrees 51. density.11) The block diagram of this model is shown in ﬁgure 1. having a time constant τ= V φ (1. and we may replace To (t) by T (t). i.8 degrees 50.2 50 49.
13 contains three diﬀerent types of terms: 1. respectively.14) where DT has units m2 /s. consult e. Additionally. y. t0 ). a possible form is ρCp ∂T ∂T ∂T ∂T + vx + vy + vz ∂t ∂x ∂y ∂z =k ∂2T ∂2T ∂2T + + ∂x2 ∂y 2 ∂z 2 +G (1. z. vz ) whereas the coordinate frame is ﬁxed 3.15) where cA is the molar concentration (mole/m3 ) of component A. y. z. z.13. Moreover. A derivation for the onedimensional case is given in the next chapter. and the next terms in the left hand side describe the net bulk transport of energy through the surface S.13) we have assumed that ρ. i. z. y.. Along similar lines one obtains the following microscopic mass balance in three rectangular spatial coordinates for a component A in a dilute binary system: ∂cA ∂cA ∂cA ∂cA + vx + vy + vz = DAB ∂t ∂x ∂y ∂z ∂ 2 cA ∂ 2 cA ∂ 2 cA + + ∂x2 ∂y 2 ∂z 2 + GA (1. we see: • A microscopic balance such as 1. t) and their partial space derivatives have to be speciﬁed as a spatial function of time.g. vy (x. as a consequence of the fact that particles move with a velocity (vx . Variations per time unit of accumulated energy 2.e.. vy .15) assumes that the velocity ﬁeld vx (x. z. Himmelblau and Bischoﬀ [23] and Bird. Cp and k are constant over V . the formulation of the equations (1. vz represent the local bulk velocity components of mass particles in the three coordinate directions. and deﬁnes the thermal diﬀusion coeﬃcient DT := k ρCp (1. Stewart and Lightfoot [9]. z. t) . y. Transport of energy through diﬀusion. t). vy . The temperature T (x. y. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS For energy. t). y. through a physical mechanism of molecular interaction that creates an energy ﬂux proportional to (the negative of) the actual spatial gradient of the temperature • The ﬂow pattern in a vessel must be known or must be computed in some way if one wishes to formulate and to solve a microscopic conservation law • For the derivation of mircroscopic balance equations such as 1. y. In deriving equation (1.e. at the boundary of this spatial domain the boundary values for T (x. vz (x.13) and (1. and G denotes a net generation term. i. t0 ) and cA (x. t) and cA (x. The three velocities vx . As a preliminary observation. if we wish to determine their evolutionary solution in time for t ≥ t0 . These initial values require the speciﬁcation of T and cA at t = t0 over the whole spatial domain. Transport of energy through convective transport. Note that the microscopic balances (1. t) now is a function of both time t and the spatial coordinates x.15) require the availability of the initial values T (x. and DAB (m2 /s) is the diﬀusion coeﬃcient.13) and (1. y. y. z. z. z.13) Here the ﬁrst term represents the variation of accumulation of energy per time units.. The parameter k represents the thermal conductivity (kgm/s3 deg). The ﬁrst three terms in the right hand side describe transport through the surface S by thermal diﬀusion.16 CHAPTER 1.
4. then the behaviour of the balance equations approaches the behaviour of the ideally mixed macroscopic case. These facts indicate that in general a microscopic formulation either requires the parallel computation of the actual possibly timevarying ﬂow pattern.13) or (1. MICROSCOPIC CONSERVATION LAWS x=0 T (x) T (x + ∆x) x=L 17 v A x x S x + ∆x v S Figure 1. The representation of this phenomenon can also be used to represent turbulent eddy diﬀusion. i. t) = dt ∂T (x. The ﬁrst option can be realized by extensive numerical computations using specialised numerical software packages. Applying a (macroscopic) energy balance to an elementary volume A∆x as shown in ﬁgure 1. Consider the ﬂow in a pipe having essentially a uniform velocity v(t) over its crosssectional area A. We call this type of (idealised) ﬂow pattern plug ﬂow..e.15 and assuming constant physical material properties..15) implies that when these coeﬃcients become large. Also note that the occurrence of velocity and diﬀusion coeﬃcients in the microscopic balance equations (1.4. Simpliﬁcations may involve the observation that the ﬂow pattern can be idealized.1.15: Pipe ﬂow with uniform velocity v(t) (plug ﬂow) is known as a function of the three spatial coordinates and time. t) occurring at the outﬂow location • In the right hand side we have two terms. t) + ∂x ∂x (1. its bulk temperature equals the local temperature T (x + ∆x.g. or requires considerable simplifying assumptions in order to be of practical use. . and will be utilised in cases where a rigorous model is required. in cases where the main ﬂow direction is in only one coordinate direction.1 Onedimensional microscopic balance equations We will present the derivation of microscopic balances for the onedimensional case. The ﬁrst one describes convective transport due to particle velocity v(t) • The second term describes diﬀusion. t)] + Ak − The following issues explain the equation: • We have assumed the volume A∆x to behave as if it were ideally mixed. 1.16) = v(t)AρCp [T (x. t) − T (x + ∆x. t) ∂T (x + ∆x. In that event a onedimensional spatial representation may suﬃce. e. yields the equation A∆xρCp dT (x + ∆x. The occurrence of heat conduction or molecular diﬀusion introduces a heat ﬂux assumed to be proportional to the spatial temperature gradient.
t) to specifying ∂T∂x at that boundary. t) = DT ∂t ∂x2 (1.21) (1. Specifying a heat ﬂux at a boundary is equivalent (x. i.and boundary conditions.20) (1. t). we assume a transport term across the boundary to be proportional to the negative of the local spatial temperature gradient: − ∂T (x. at x = 0 and at x = L).. v(t) = 0. and letting ∆x → 0. The terminology for the models deﬁned in this section is as follows. t) ∂T (x.21) speciﬁes the inlet temperature as a function of time for all t ≥ t0 . A system described by a partial diﬀerential equation is called a distributed parameter system or an inﬁnitedimensional system. leads to ∂T (x.t) T (x. in equation (1. . but not both. t0 ) = Tinit (x) T (x0 . In that case we obtain the onedimensional diﬀusion equation ∂ 2 T (x. t) ∂T (x. In that case we have the onedimensional microscopic balance for convective transport ∂T (x. t) = Ti (t) (1.and boundary conditions for these partial diﬀerential equations is important. Microscopic balances are written in terms of partial diﬀerential equations.20) speciﬁes the initial temperature proﬁle to be given for all x ≥ x0 in the spatial domain. The derived onedimensional plugﬂow based energy balance equation (1. one can specify either a temperature or a heat ﬂux as boundary condition (or a single linear combination of these two). t) ∂T (x. e.. A system described by a ﬁnite number of integral balances.and boundary conditions T (x. In a future chapter. t) + v(t) =0 ∂t ∂x with initial. ∂T∂x or both.e. t) ∂ 2 T (x. the notion of bilaterally coupled systems will be considered. With respect to boundary conditions for the diﬀusion equation this implies that at each side of the spatial domain (i. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS For the diﬀusion phenomena.18) combines the phenomena of convection and diﬀusion and is called a convectiondiﬀusion equation. x ∈ [0. macroscopic balances. which now will involve (x. This can be shown by ﬁrst investigating the case DT = 0.18).22) for which we need to specify initial. t) + v(t) = DT ∂t ∂x ∂x2 (1..14). Division of the equation (1.16) by A∆xρCp . The issues of how to specify initial.e.g. L] if x0 = 0 is at the inlet and x = L is at the outlet position of the considered pipe ﬂow system.17) with a proportionality factor given by the thermal conductivity k (kgm/s3 deg). Equation (1. A diﬀerent simpliﬁcation occurs if we assume the velocity to be zero. and its mathematical representation is in terms of ordinary diﬀerential equations.18) where the thermal diﬀusion coeﬃcient DT is deﬁned by equation (1.19) Equation (1. is called a lumped parameter system. t) ∂x (1.18 CHAPTER 1.
We may think of linear systems as locally linearised approximations of smooth nonlinear processes. This observation provides the motivation for deriving linearized models. φu ) (1. u ∈ Rx m. Similarly. u2 ) (1. Zeroinput linearity: x(ax01 + bx02 . t0 . t0 . b ∈ R. t0 . Zerostate linearity requires superposition to hold for the system when the initial state is zero and a state response occurs only due to the eﬀect of an input. It can be observed that most processes behave globally as nonlinear systems. x02 ∈ Rn and constants a.1.5. without stating any further characterization or property of the system. Thus we may expect that a further characterization of the properties of a nonlinear system is required before we can make any assessment about its behaviour. The three conditions in the deﬁnition can be given an interpretation as follows. when the inputs are zero. t0 . u) are assumed to be constant or timeinvariant. the decomposition property requires a state response to be the sum of the eﬀects of a response due to an input for initial state zero. where φx denotes the zero state of the system. The m variables in the vector u(t) are the input variables. t0 .23) is linear if it satisﬁes the following three basic superposition properties: 1. t0 .5. Now a nonlinear system is a system for which we only specify that the superposition principle does not hold. φu ) for all x0 ∈ Rn and all inputs u ∈ Rm . u) = x(φx .23) where x. 2. Decomposition property: x(x0 . LINEARITY AND LINEARIZATION OF NONLINEAR MODELS 19 1. t0 .u2 ∈ Rm and for all constants a. 3. and a response due to a nonzero initial state for inputs equal to zero. u) + x(x0 . There are some strong arguments in favour of the study of linear systems : (1. φu ) + bx(x02 . u(t)) dt x(t0 ) = x0 (1. zeroinput linearity requires the system to obey superposition in the response to nonzero initial states. b ∈ R. whereas many processes behave locally as approximately linear systems.25) for all states x01 . Finally. t0 . to which the system is assumed to be subjected by the surroundings. f ∈ Rn .5 Linearity and Linearization of Nonlinear Models Suppose that a lumped parameter system is described by the possibly nonlinear vectordiﬀerential equation in statespace form d x(t) = f (x(t).24) for all inputs u1 . t0 . The n variables in x(t) are called the state variables. u1 ) + bx(φx .1 Deﬁnition of linearity Linearity is a property which is identical to the fact that the superposition principle applies. au1 + bu2 ) ≡ ax(φx . This is a rather void characterization in the sense that it states the fact that an idealised property such as linearity does not hold. The model (1. The n model relations expressed by f (x. φu ) ≡ ax(x01 . Zerostate linearity: x(φx . 1. where φu denotes the zero input function.26) .
A necessary and suﬃcient condition for x∗ . or sensitivity coeﬃcients with respect to parameter variations.28) (1. 1. u∗ ) + ∂f ∂x ∆x + ∗ ∂f ∂u ∆u + higherorder terms ∗ (1. We have to resort to numerical simulations and numerical computations for nonlinear systems. A computer can provide a numerical solution.23) is a smooth function of x and u.27).31) . BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS • For linear systems.5. the higherorder terms are small compared to the linear terms and can be neglected.27) and expand the function f (x. Now consider x(t) = x∗ + ∆x(t) u(t) = u∗ + ∆u(t) (1. u) in a Taylor series about the nominal values x∗ . Thus a linearized analysis provides a result that also is relevant to the understanding of the local behaviour of the nonlinear techniques. we have ∂f d ∆x(t) = dt ∂x ∆x(t) + ∗ ∂f ∂u ∆u(t) + higherorder terms ∗ (1. For example.30) For suﬃciently smooth f and small ∆x(t). It is often useful to determine analytically the parameter groups that are responsible for such properties as steadystate gain. but it in general does not provide background information about the relationship of this solution to the parameters of the model. On the other hand. • Many of the presently available techniques for stability analysis and for feedback design for nonlinear systems are direct extensions of corresponding linear techniques and they require smoothness of f (x. analytic solutions and analytically derived system properties are available. • For nonlinear systems. This implies that local linearization might be feasible in many cases. time constants. coupling coeﬃcients.23).27). u) in the right hand side of the model (1. except possibly in a ﬁnite number of values of its arguments. u∗ be the state and input corresponding to a set of stationary operating conditions for the nonlinear statespace model of equation (1. there exist certain stability issues for the global behaviour of nonlinear systems for which a linearized analysis does not present any valuable information. u∗ ) In general there are inﬁnitely many x∗ . u) = f (x∗ . we must keep in mind proper respect for the limitations of a linearized analysis.20 CHAPTER 1.23). stability behaviour. By doing this we approximate the nonlinear equations by linear ones and this leads to the approximating linear statespace model d ∆x(t) = A∆x(t) + B∆u(t) dt ∆x(t0 ) = ∆x0 (1. ∆u(t).2 Linearization Let x∗ . such an analysis is in general not possible. u) in equation (1.29) Because f (x∗ . u∗ satisfying equation (1. u∗ ) satisﬁes (1. u∗ : f (x. u∗ to qualify in deﬁning stationary operating conditions is that they satisfy 0 = f (x∗ . • For many processes the function f (x.
. The basic approach of modelling leads to the following steps. These concentrations describe a single component occurring in both ﬂows. 2. B (1. ∆u(t) denote small perturbations of the actual trajectory of the system about the nominal trajectory x∗ (t). Consequently.23). If the nominal trajectory is not varying in time. are input ﬂows for a vessel and are mixed. these matrices can be expressed as a function of time and lead to timevarying matrices A(t).16 where two ﬂows φ1 (t) and φ2 (t) having concentration c1 (t) and c2 (t). Outﬂow occurs under the inﬂuence of gravity through an oriﬁce. Then the formal execution of the same steps leads to the linearized model d ∆x(t) = A(t)∆x(t) + B(t)∆u(t) dt ∆x(t0 ) = ∆x0 (1. 1. grade change.33). A set of values x∗ (t). System boundary. e. such a nominal trajectory can be the trajectory that is foreseen in a startup or shutdown operation. The purpose of the model is to describe how the outgoing ﬂow φ(t) and its concentration c(t) depend upon the ﬂows φ1 (t) and φ2 (t) and their concentrations c1 (t) and c2 (t). u∗ ) are not stationary.33) are timeinvariant. . be it now linearization along a (given) nominal trajectory. B(t) in equation (1. n} deﬁne the matrices A= ∂f ∂x ∈ Rn×n . The incoming ﬂows are controlled by a valve in each of the ﬂow lines. the same concept of linearization still applies. 2. The vessel is agitated by a stirrer. The mixing process takes place in the interior of the vessel. 2. then the resulting matrices A. u∗ (t) is available in quantitative form.35) ∗ no longer are constant but vary when passing along the trajectory. ∗ ∂f ∂u (1.g. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS where Aij = ∂fi ∂xj .33) If our nominal conditions f (x∗ . . the partial derivatives ∂f ∂x . Deﬁning the problem. 1. but rather constitute a nominal trajectory for the system. · · · . take system boundary around the vessel. ∗ 21 Bik = ∂fi ∂uk (1. As an example. m} B= ∗ ∂f ∂u ∗ ∈ Rn×m (1. u∗ (t) satisfy the model (1.1.. Due to its inherent variation in time.5.3 Example: Process dynamics of mixing process Consider the mixing process shown in ﬁgure 1.32) ∗ i. We assume that a nominal trajectory x∗ (t). . u(t) = u∗ (t) + ∆u(t) so that now ∆x(t). or during the transfer of a process from a set of existing operationg conditions to a diﬀerent one. respectively. j ∈ {1. In the derivation of this result we deﬁne x(t) = x∗ (t) + ∆x(t).5. Note that a timevarying system is the result of a linearization about a nonconstant nominal trajectory. k ∈ {1.34) Observe that the linearized model now has timevarying coeﬃcients. u∗ (t). u∗ (t) is a nominal trajectory if x∗ (t). .
16: Mixing vessel having natural outﬂow through oriﬁce inlet flow phi2 1.45 kmol/m3 0.2 m3/hr 1.22 CHAPTER 1.4 1.35 0.4 0.6 0.6 1.5 0.5 1.8 0.17: Responses of mixing process on inlet ﬂow step .2 0 10 20 time (hrs) −−> 30 0 0 m 1 1 2 level 10 20 time (hrs) −−> 30 Figure 1.5 0.3 0 0 10 20 30 0 outlet concentration 1 m3/hr 0.4 0. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS 1 φ1 (t) C1 (t) 2 φ2 (t) C2 (t) A h(t) S C(t) φ(t) C(t) Figure 1.5 10 20 30 outlet flow phi 2.5 0.5 0.
We have the following relations: mass balance (total): dρAh(t) = ρφ1 (t) + ρφ2 (t) − ρφ(t) dt (1. • The level in the vessel can be described by a single variable h(t). 6. c1 (t). 4 are given by the surroundings as inputs. Variables through system boundary.2994 0.1.18: Small signal responses of mixing process on inlet ﬂow step 3.245 b 1. c2 (t). Formulation of conservation laws.26 2.22 0 5 m 2.3 0.24 0 5 10 15 kmol/m3 m3/hr 0.49 0 5 10 time (hrs) −−> 15 2.51 a 1. φ(t). φ(t) and c(t) are to be considered as output variables. Model hypotheses. The concentration in the vessel is not spacedependent and thus can be represented by a single variable c(t).5.3006 0.3004 0. Decomposition into subsystems. 7. By similar reasoning. and thus also have to be considered as input variables. and thus are inputs to our system. The total volumetric incoming and outgoing ﬂows will determine the level.2998 0. In the problem we have the 7 variables φ1 (t). • We assume that no leakage or evaporation of the ﬂuid occurs. Their concentrations c1 (t) and c2 (t) describe properties of mass ﬂow particles that pass the system boundary inwards.255 1. c(t) and h(t). φ2 (t).36) .26 a 1. Development of a conceptual model.24 b 10 time (hrs) −−> 15 Figure 1.2996 0. there is no direct reason to partition the system into subsystems. 4.5 1.28 level a 2. • The density ρ is assumed to be independent of the concentration c(t). This pressure drop is proportional to the level in the vessel. 5. • The crosssectional area A is constant.3002 0. Thus we need 3 independent equations to describe the remaining 3 variables. • The vessel is assumed to be ideally mixed. As the valves are left outside the system boundary. Of these 7 variables.2992 0 5 10 a 15 outlet concentration 23 b outlet flow phi 1.495 b 1.25 1. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS inlet flow phi2 1.505 m3/hr 1. The ﬂows φ1 (t) and φ2 (t) are the result of pressure drop and valve openings in the surroundings. The outgoing ﬂow will be related to the pressure drop over the oriﬁce which has a ﬁxed opening.
Here.38) can be simpliﬁed by eliminating φ(t) from (1. The stationary initial process condition in both ﬁgures is identical.2 kmol/m3 2 k = 1.5 m2 c∗ = 0. ∆c(t) are the deviations from these values. but.36). BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS mass balance (component): dc(t)Ah(t) = c1 (t)φ1 (t) + c2 (t)φ2 (t) − c(t)φ(t) dt ﬂow through oriﬁce: φ(t) = k h(t) (1. with h(t) and c(t) as unknowns.17 and 1.37): A dh(t) = φ1 (t) + φ2 (t) − k dt h(t) (1. as superposition clearly does not hold.38) (1. Inserting these variables into equation (1. The ﬁgure 1. c∗ indicate the value of the variable in the stationary operating condition. Write each variable as h(t) = h∗ + ∆h(t) c(t) = c∗ + ∆c(t) and similarly for other variables. The following parameter values have been used: Ah(t) A = 1.37) and (1. The three relations (1. The process variables respond almost as if the process were linear. There are two diﬀerential equations and one algebraic equation.18 shows small signal behaviour in the close vicinity of a stationary operating condition. Mathematical approximation. Mathematical simpliﬁcations. i. If desired.17 shows process responses for a large step disturbance in inlet ﬂow φ2 .38).25 m3 /hr 1 φ∗ = 1. 8.18 show typical responses of the process. it can be considered as deﬁning an output variable.38) describe the model.39) dc(t) = [c1 (t) − c(t)]φ1 (t) + [c2 (t) − c(t)]φ2 (t) (1. the variables h∗ .e.36) into (1. given the internal variables. the model relations 1.8 kmol/m3 1 c∗ = 0. 9. The three model relations (1.38) can be part of the model in the sense that it does not describe the internal variables of the system. and ∆h(t). determined by the opening of the oriﬁce and by material properties of the ﬂuid.36).40) dt We now have two model equations in the form of two diﬀerential equations.40) yields: A[h∗ + ∆h(t)] d[c∗ + ∆c(t)] = [c∗ + ∆c1 (t) − c∗ − ∆c(t)][φ∗ + ∆φ1 (t)]+ 1 1 dt . Note the diﬀerence in concentration response speed for the high level and low level situation. (1. a variable that is transmitted through the system boundary to the surroundings.. Simulation results in ﬁgures 1.37) and (1. The responses show nonlinear behaviour.39 can be linearized about a set of stationary operating conditions.0 φ∗ = 0.25 m3 /hr 2 The ﬁgure 1.37) by using (1.37) where k is a constant.40 and 1.24 CHAPTER 1. The equation for the output ﬂow (1. (1. and by inserting (1.
47) The last step can be veriﬁed by computing the square of the left and right hand sides of equation (1.45) In the steady state the relation is: √ 0 = φ∗ + φ∗ − k h∗ 1 2 (1.46) The term containing the square root can be linearized by the following observation: h∗ + ∆h(t) = ∆h(t) h∗ √ ∆h(t) = h∗ [1 + ] + higher order terms in ∆h(t) 2h∗ h∗ 1+ √ (1.43) Linearization of (1.48) where φ∗ = φ∗ + φ∗ .1.44) A similar operation can be performed by inserting the perturbed variables into the equation (1.42) from (1.47) into (1.50) (1.43) amounts to deleting all terms that contain a product of two ∆variables: Ah∗ d∆c(t) = [c∗ − c∗ ]∆φ1 (t) + φ∗ [∆c1 (t) − ∆c(t)]+ 1 1 dt [c∗ − c∗ ]∆φ2 (t) + φ∗ [∆c2 (t) − ∆c(t)] 2 2 (1.42) +[∆c1 (t) − ∆c(t)]∆φ1 (t) + [c∗ − c∗ ]∆φ2 (t) + φ∗ [∆c2 (t) − ∆c(t)] 2 2 +[∆c2 (t) − ∆c(t)]∆φ2 (t) (1.46) and (1.47). yielding: A d[h∗ + ∆h(t)] = φ∗ + ∆φ1 (t) + φ∗ + ∆φ2 (t) − k 1 2 dt h∗ + ∆h(t) (1.49) . The linearized version of (1.41) (1.41): Ah∗ d∆c(t) d∆c(t) + A∆h(t) = [c∗ − c∗ ]∆φ1 (t) + φ∗ [∆c1 (t) − ∆c(t)] 1 1 dt dt 25 (1. Inserting (1. LINEARITY AND LINEARIZATION OF NONLINEAR MODELS [c∗ + ∆c2 (t) − c∗ − ∆c(t)][φ∗ + ∆φ2 (t)] 2 2 In steadystate the relation is: 0 = [c∗ − c∗ ]φ∗ + [c∗ − c∗ ]φ∗ 1 1 2 2 Subtracting (1.38) is: 1 2 √ ∆h(t) ] φ∗ + ∆φ(t) = k h∗ [1 + 2h∗ so that ∆φ(t) = φ∗ ∆h(t) 2h∗ (1.39).45) yields the second linearized model relation: A φ∗ ∆h(t) d∆h(t) = ∆φ1 (t) + ∆φ2 (t) − dt 2h∗ (1.5.
implicit algebraic relations amongst the variables in x1 .54) are in implicit form.57) (1.50) can be formulated in the standard state space form for linear sets of diﬀerential equations: 1 − 2θ 0 A 2θ 1 A c∗ −c∗ 1 Ah∗ 1 A c∗ −c∗ 2 Ah∗ d dt ∆h(t) ∆c(t) ∆φ(t) ∆c(t) = 0 −1 θ 0 1 ∆h(t) ∆c(t) ∆h(t) ∆c(t) + φ∗ 1 Ah∗ 0 φ∗ 2 Ah∗ 0 ∆φ1 (t) ∆φ2 (t) ∆c1 (t) ∆c2 (t) (1.19. x2 (t). In fact.53) where x(t) is the state vector. u(t))..56) The structure of these relations is shown in ﬁgure 1.55) If indeed the model (1. u(t)) dt 0 = g(x1 (t).52) = 0 The model is in the standard form d x(t) = Ax(t) + Bu(t) dt y(t) = Cx(t) (1.51) Then the equations (1. 1. u(t)) dt (1. i.e. the solutions to the linearized model are contained in the set of solutions to the nonlinear model. This may be experienced by the occurrence of algebraic loops. u(t)) dt or d x1 (t) = f ∗ (x1 (t). g in equations (1.54). in general we have coupled diﬀerential equations and algebraic equations of the form d x1 (t) = f (x1 (t). x2 (t).48) and (1.54) The algebraic equations (1.23) is not the most general one encountered in dynamic modelling. x2 and u. be it in an approximate sense . u(t)) (1.54) by an equivalent explicit set of equations in which the variables x2 (t) are speciﬁed as explicit functions of x1 (t) and u(t) : x2 (t) = h(x1 (t). We can try to replace the equations (1.26 CHAPTER 1.55) into the diﬀerential equations in (1. (1. For smooth functions f. and y(t) is the output vector. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS Deﬁne the parameter θ as the average residence time of mass particles in the vessel: θ= h∗ A φ∗ (1. we can insert (1. u(t) is the input vector. Note that all signals pass through the integrator in their route from inputs to outputs. h(x1 (t).54) can be brought into the format (1.44).54) and obtain a model in statespace form: d x1 (t) = f (x1 (t). u(t)) (1.6 Diﬀerentialalgebraic model equations The model in equation (1.55).
For the approach shown above for bringing a model formulated in terms of algebraic and diﬀerential equations into an explicit statespace form.62) (1. x∗ .1. or it may turn out that our system model is internally or externally nonproper.61) If A22 turns out to be singular. transformed to statespace form and under the conditions of the validity of these approximations.19: Diﬀerentialalgebraic equations. further insight into the existence question of this model transformation can be derived from a linearized analysis.58) is that the matrix A22 is nonsingular. it is invertible.58) leads to the linear statespace model d ∆x1 (t) = A∆x1 (t) + B∆u(t) dt with A = A11 − A12 A−1 A21 22 B = B1 − A12 A−1 B2 22 (1. In that case we may have to investigate the index of the system. DIFFERENTIALALGEBRAIC MODEL EQUATIONS 27 f∗ u(t) u(t) x1 (0) x1 (t) h x2 (t) f x1 (t) dx1 (t) dt Figure 1. . A linearized version of f and g with respect to x1 . u∗ leads to the linearized model x1 2 d ∆x1 (t) = A11 ∆x1 (t) + A12 ∆x2 (t) + B1 ∆u(t) dt 0 = A21 ∆x1 (t) + A22 ∆x2 (t) + B2 ∆u(t) where A11 = A21 = ∂f ∂x1 ∗ ∂g ∂x1 ∗ (1. The discussion of these issues will be given in chapter 5. the explicit expression is ∆x2 (t) = −A−1 A21 ∆x1 (t) − A−1 B2 ∆u(t) 22 22 (1.58) A12 = A22 = ∂f ∂x2 ∗ ∂g ∂x2 ∗ B1 = B2 = ∂f ∂u ∗ ∂g ∂u ∗ (1.59) Now a suﬃcient condition for the existence of an explicit expression that is equivalent to the algebraic equations (1..63) ∆x1 (t0 ) = x10 (1. x2 and u about a stationary solution ∗ .e.6.60) Inserting this explicit expression for ∆x2 (t) into the diﬀerential equations in (1. i. then a further analysis is necessary in order to assess the properties of the system under consideration. In that case.
The ﬂow can vary in time.20: Exothermal chemical reactor The perturbation variables ∆x. There is a continuous input feed ﬂow to the process. and the vessel is completely ﬁlled. Thus input volumetric ﬂow φ(t) is equal to the output volumetric ﬂow. the solution is: x1 (t) = eA(t−t0 ) x10 + t t0 eA(t−τ ) Bu(τ )dτ (1. Reactant A forms the product B at a speciﬁc k reaction rate k. and a continuous outﬂow.28 CHAPTER 1.65) where the matrix exponential is deﬁnied by its series expansion eAt = I + At + 1 2 2 A t + . which is indicated by A −→ B. The vessel is surrounded by a cooling jacket to remove the heat of reaction.. 2! (1. the opening of which is determined by . Density variations are assumed to be neglected. u if the context of a linear model is clear. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS Tset (t) control TC Ci (t) Ti (t) feed ﬂow cooling water out X(t) φj (t) Tjo (t) cooling water Tj (t) C(t) T (t) jacket vessel product ﬂow C(t) T (t) Figure 1. Then equation (1. The reaction is assumed to be exothermic and irreversible. and such a process is known under the name CSTR (Continuous StirredTank Reactor).61) is written as d x1 (t) = Ax1 (t) + Bu(t) dt x1 (t0 ) = x10 (1.7 Continuous chemical reactor process dynamics As an example of a more involved process modeling exercise.66) 1. The amount of cooling water is controlled by a valve. The reaction vessel will be assumed to be well mixed. a continuous ﬂow system will be considered in which a nonisothermal chemical reaction takes place. B are timeinvariant.∆u will often be replaced by x..64) Assuming that A.
and the amount of cooling must be adapted to the actual heat production if constant operational conditions are required in the face of disturbances. The amount of ﬂow through the vessel is assumed to be determined outside the system. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 29 Tjo (t)  Ti (t) Ci (t) φ(t) Tj (t) jacket ? ? ? C(t)  Tset (t)   controller X(t)  valve φj (t)  reactor Q(t) T (t) Figure 1. Thus the system consists of vessel.21: Block diagram of CSTR subsystems and interconnections a PIcontroller.20. 3. The reaction temperature in the vessel is the controlled variable. cooling jacket. System boundary: The exothermic reaction needs cooling. 4. Intended purpose of the model: To describe the dynamics of the process such that conclusions regarding stability of operation can be drawn 2.7. cooling ﬂow valve and temperature controller. Variables across system boundary: The following input variables must be considered: • volumetric ﬂow φ(t) (m3 /s) through the vessel • temperature Ti (t) (K) of the input ﬂow to the vessel • concentration Ci (t) (mol/m3 ) of component A in the input ﬂow • coolant ﬂow inlet temperature Tjo (t) (K) • setpoint value Tset (K) for the temperature controller As internal variables we have: • volumetric ﬂow φj (t) (m3 /s) through the jacket • temperature Tj (t) (K) of the jacket • concentration C(t) (mol/m3 ) of component A in the vessel • temperature T (t) (K) of the ﬂuid in the vessel This list must be completed on the basis of a further study of the model hypotheses and conservation laws. The various decisions underlying the modelling procedure closely follow the scheme given in table 1.1: 1. The process is shown in ﬁgure 1. Model hypotheses: • The vessel is perfectly mixed .1.
• All material properties of the ﬂuid in the vessel are constant. T (t). T (t) • internal variables: Temperature error (t) (K). BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS • There are no heat losses to the environment from coolant ﬂow. (d) Coolant valve • input variable: X(t) • internal variable: φj (t) Thus 1 equation required. The variables C(t). The variable X(t) acts as output variable. heat ﬂow Q(t) (J/s) between vessel and jacket. Q(t) • internal variable: Tj (t) Thus 1 equation required. 6.21. (b) Jacket • input variables: Tjo (t). its heat resistance is assumed to be incorporated in the heat transfer coeﬃcients between coolant and wall. . (a) Reactor vessel • input variables: Ci (t). independent of concentration C(t) • The pressure drop over the coolant valve is assumed to be constant 5. (c) Temperature controller • input variables: Tset (t). Tj (t) • internal variables: C(t). The variables and interconnection structure are shown in the block diagram of ﬁgure 1. Conservation laws and other model relations: These will be discussed for each subsystem separately. φ(t). valve position X(t) (m) Thus 2 equations required. and between wall and ﬂuid in the vessel • The heat transfer between coolant and wall.30 CHAPTER 1. φj (t). T (t) and Q(t) act as output variables. Subdivision into subsystems: The four components of the process determine four subsystems which will be discussed regarding variables and interconnection structure. The variable Tj (t) acts as output variable. rate of reaction R(t) (mol/m3 s) Thus 4 equations required. so that input volumetric ﬂow φi (t) (m3 /s) instantaneously equals output volumetric ﬂow φ(t) (m3 /s). The input ﬂow is assumed to be determined outside the system. and between wall and ﬂuid in the vessel is assumed to be proportional to the diﬀerence in temperatures • The vessel ﬂuid volume V is constant • The density of the ﬂuid ρ (kg/m3 ) is independent of temperature T (t) and concentration C(t). The variable φj (t) acts as output variable. Note that the jacket and reactor are thermally bilaterally coupled. jacket and vessel • The jacket is assumed to be perfectly mixed • The heat capacity of the vessel wall between vessel and jacket is neglected. Ti (t).
ρj (kg/m3 ) is the coolant density. The reaction rate for an nth order reaction can be described by R = C n ke− RT E (1. (b) Jacket Energy balance for the jacket volume: d {Vj ρj Cpj Tj (t)} = φj (t)ρj Cpj [Tjo (t) − Tj (t)] + Q(t) dt (1. the reaction is of ﬁrst order.70) where k is the frequency factor. The equation for the heat ﬂow is: Q(t) = αAc [T (t) − Tj (t)] (1. and Ac (m2 ) is the total area of heat transfer between vessel ﬂuid and jacket. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS (a) Reactor vessel Mass balance for the component A: d {V C(t)} = φ(t)[Ci (t) − C(t)] − V R(t) dt Energy balance for the vessel d {V ρCp T (t)} = φ(t)ρCp [Ti (t) − T (t)] − Q(t) + (−∆i)V R(t) dt 31 (1. E (J/kg) is the activation energy of the reaction.67) (1.71) where Vj (m3 ) is the jacket volume. respectively. and R (J/kgK) is the speciﬁc gas constant. Cp (J/kgK) is the speciﬁc heat. we have: = Kv X(t) if 0 ≤ X ≤ Xmax = 0 if X < 0 (1.68) Here −∆i (J/mol) is the heat of reaction.73) Here.. i. In our case where one species A reacts with a component assumed to be available in excess.e. Cpj (J/kgK) is the speciﬁc heat of the coolant.69) where α (J/m2 Ks) is the total heat transfer coeﬃcient between vessel and coolant in the jacket. and Kv is a normalization constant allowing to take Xmax = 1.1.72) (τ )dτ −∞ X(t) = Kp (t) + Ki (1.7. (c) Temperature controller Suppose that this controller has the charateristics of a PIcontroller: (t) = Tset (t) − T (t) t (1. . (d) Coolant valve If we assume a linear relationship between valve position and ﬂow area. Kp and Ki are the controller parameters for proportional action and for integral action. n = 1.74) φj (t) = K X v max if X > Xmax where Xmax is the value for X(t) for which the valve is maximally open.
the vectors x1 (t).22: Heat generation G(T ∗ ) and removal −F(T ∗ ) in CSTR 7.75) (1.77) (1.54): d x1 (t) = f (x1 (t). The openloop model of the reactor and jacket (without controller and coolant valve) will be considered.5.79) 0 = Q(t) − αAc [T (t) − Tj (t)] 0 = R(t) − C(t)ke E − RT (t) The equations (1.81) (1.32 CHAPTER 1. The dynamic balance equations contain time derivative of the accumulation terms in the lefthand side. These terms will be brought to a form containing only time derivatives of individual variables. Model structure investigation First the structure of the set of diﬀerential and algebraic equations comprising the model will be analysed.78) (1. x2 (t) and u(t) are: C(t) x1 (t) = T (t) Tj (t) x2 (t) = Q(t) R(t) u(t) = Tjo (t) φj (t) Ti (t) Ci (t) φ(t) (1.75) .(1. equations (1. u(t)) In the present case.80) . These variables will turn out to become the state variables in the nonlinear dynamic system. d C(t) = dt d T (t) = dt d Tj (t) = dt φ(t) [Ci (t) − C(t)] − R(t) V φ(t) Q(t) (−∆i) [Ti (t) − T (t)] − + R(t) V V ρCp ρCp φj (t) Q(t) [Tjo (t) − Tj (t)] + Vj Vj ρj Cpj (1. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS F G. x2 (t). F G T∗ Figure 1. x2 (t). u(t)) dt 0 = g(x1 (t).79) are in the form of the general set of diﬀerentialalgebraic equations discussed earlier in section 1.76) (1.
83.56. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS The set of equations (1. leading to equations (1. Another reason is the appearance of the nonlinear expression for the reaction rate. the product φ(t)C(t) in equation 1.78.85) The elimination of two internal variables using the two algebraic equations of the model exactly corresponds to the elimination procedure described in section 1. 8. Ci∗ and given material properties and reactor volume this indeed is only a function of T ∗ . e.84) V V ρCp ρCp φj (t) αAc [T (t) − Tj (t)] [Tjo (t) − Tj (t)] + Vj Vj ρj Cpj (1.88) The lefthand side of the energy balance (1.83) αAc [T (t) − Tj (t)] (−∆i) φ(t) − E [Ti (t) − T (t)] − + C(t)ke RT (t) (1. The reactor vessel has as inputs the variables Ci (t).86) follows an explicit expression for C ∗ : C∗ = φ∗ Ci∗ φ∗ + V ke− RT ∗ E (1. The function G(T ∗ ) is Sshaped and is shown . the equations (1.85) is nonlinear for several reasons. leading to the state space equations: d C(t) = dt d T (t) = dt d Tj (t) = dt φ(t) − E [Ci (t) − C(t)] − C(t)ke RT (t) V (1.7.89) φ∗ Ci∗ (−∆i)ke− RT ∗ φ∗ AH E + ke− RT ∗ E (1.57).83 . In steady state.1.. 1. 1.5.79) determining x2 (t) can be written explicitly as Q(t) = αAc [T (t) − Tj (t)] R(t) = C(t)ke E − RT (t) 33 (1. The character of this nonlinearity will be investigated by considering the steadystate behaviour of the reactor vessel. the other part is the heat removal from the vessel −F(T ∗ ): G(T ∗ ) := AH(−∆i)C ∗ ke− RT ∗ Inserting (1.1. φ(t) and Tj (t).77).90) For given input variables φ∗ .87) where the variables (·)∗ indicate steadystate values. one part describes the heat generation G(T ∗ ).75) .84) are φ∗ [Ci∗ − C ∗ ] − V C ∗ ke− RT ∗ = 0 φ∗ ρCp [Ti∗ − T ∗ ] − αAc [T ∗ − Tj∗ ] + V (−∆i)C ∗ ke− RT ∗ = 0 E E (1.82) and inserted in the equations (1. Ti (t).87) can be split into two parts.86) (1. One is the occurrence of products of input and state variables in the righthand sides of the state space equations.g.88): G(T ) := ∗ E (1. From (1.(1. Steadystate nonlinearity and stability analysis The statespace model (1. (1.83).
then the actual steadystate heat removal function −F(T ∗ ) can be given a greater slope.. i. Dynamic simulation of the CSTR A dynamic simulation of the complete process shows the behaviour of the process under disturbances of the various inputs.36 8.5 hr −1 J/kmol J/kmolK J/m2 hrK m2 m3 kg/m3 J/kgK The results are shown in the ﬁgures (1.22 as a function of T ∗ . The steady state operational condition in the intermediate intersection point is called statically unstable. The following numerical values have been used. one for intermediate temperature and one for high temperature. for diﬀerent initial steadystate operating conditions.08 × 1010 6. but varies as a function of T ∗ .8 1 2. 1.91) The function −F(T ∗ ) is also shown in ﬁgure 1. φ AH Ci Ti Tjo (−∆i) ρ Cp Kp Ki = = = = = = = = = = 1. Let a small increase in heat generation lead to a slightly higher temperature. to a temperature to the right of the intersection point. • A dynamic analysis shows that the process operated in the intermediate intersection point is also asymptotically unstable from a dynamic point of view.92) (1.07 × 106 23.5 −5 m3 /hr m3 kmol/m3 K K J/kmol kg/m3 J/kgK k E R α Ac Vj ρj Cj Xmax Kv = = = = = = = = = = 7. Then the heat removal is smaller than the heat generation.e..23 . Suppose the process is in the intermediate point of intersection. the other intersections are statically stable.34 CHAPTER 1.0 294 294 6.13 1. a diﬀerent heat removal function results. .87) deﬁne the heat removal −F(T ∗ ): −F(T ∗ ) = φ∗ ρCp [T ∗ − Ti∗ ] + αAc [T ∗ − Tj∗ ] For given input variables φ∗ . 9. • In particular if stabilizing proportional temperature feedback control is applied.96 × 107 801 3140. i.29). exhibiting diﬀerent equilibrium and stability properties. The ﬁgure shows three possible steady state equilibrium solutions: one for low temperature.e. the process tends to be removed away from the intersection conditions. then the slope of the heat removal function −F(T ∗ ) will be inﬁnite. The other terms in equation (1. regarding its natural behaviour under disturbances as a function of time. If stabilizing integral feedback control of the temperature T ∗ is applied. i.2 0.109 998 4186. Ti∗ . so that only one equilibrium intersection point occurs. .3 3. • The stability result holds for a ﬁxed jacket temperature Tj∗ .96 × 107 8314. . Tj∗ this is a linear function of T ∗ : −F(T ∗ ) = [φ∗ ρCp + αAc ]T ∗ − φ∗ ρCp Ti∗ − αAc Tj∗ (1.e. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS in ﬁgure 1.22 as a function of T ∗ .1 −0.. If the jacket temperature is not ﬁxed. The following remarks apply. In steady state the heat generation equals the heat removal.
7.23: Steady state process operational curve of CSTR setpoint Tset 4.2 4 3. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 35 Steady state reactor temperature vs coolant flow 420 400 380 T (degrees) 360 340 320 300 0.6 0.1.8 0.4 1.1 1.3 1.24: Process response on step in Tset under closedloop control .5 1.6 coolant flow (m3/hr) Figure 1.2 1.6 0 2 concentration C 330 4 coolant flow 6 8 335 degrees m3/hr 0 2 4 6 coolant temperature Tj 8 2 330 1 325 0 0 5 kmol/m3hr 2 4 6 reaction rate script−R 8 335 degrees 4 3 2 330 325 0 2 4 time (hrs) 6 8 0 2 4 time (hrs) 6 8 Figure 1.7 0.4 335 kmol/m3 degrees 4.8 325 0 2 4 temperature T 6 8 3.9 1 1.
65 0.2 350 degrees 340 330 320 310 300 0 1 2 3 time (hrs) a 4 5 359.8 degrees 360 b 360.635 0.26: Responses on step in coolant ﬂow.5 311 310.418 1.45 m3/hr 1.75 a 0.6 0. open loop T ∗ = 360 K . open loop T ∗ = 310 K coolant flow 1.64 0.65 0.35 1.4175 m3/hr 1.4165 1.36 CHAPTER 1.4 temperature T b a 2 3 time (hrs) 4 5 Figure 1.7 m3/hr 0.417 1.5 0 b degrees 312 311. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS coolant flow 0.4 1.55 0 1 2 b 3 m3/hr 0.63 0 1 coolant flow a b 2 3 temperature T 330 325 degrees 320 315 310 a 305 0 1 time (hrs) 2 3 309.3 a a b b 2 3 4 5 temperature T 370 360 360.6 0 1 359.25: Responses on step in coolant ﬂow.416 0 1 2 3 4 5 0 1 coolant flow 1.645 0.5 1.5 310 temperature T b a 1 time (hrs) 2 3 Figure 1.
9 299.1 320 319.9 339.2 degrees 300.3 310.517 1.9 309.3 340.9355 0. 350 K .6375 0.892 0.536 0 5 10 temperature T 330.295 1.1.7.2945 0 5 10 1. 340.5175 1.296 1.2 310.2955 m3/hr 1.2 340.3 300. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 37 coolant flow 0.936 0.2 degrees 330.637 0.2 320.638 0.9 319.1 330 329.1 340 339.5365 1.518 coolant flow 1.1 310 309.8 temperature T 0 5 time (hrs) 10 0 5 time (hrs) 10 0 5 time (hrs) 10 Figure 1.893 m3/hr 0.8935 0.3 320.9 329.9 349.8 310.6365 0 5 10 0. open loop T ∗ = 330.8925 0.9345 0 5 10 temperature T 300.538 coolant flow 1.28: Responses on step in coolant ﬂow. open loop T ∗ = 300. 320 K coolant flow 1.5375 1. 310.27: Responses on step in coolant ﬂow.8 temperature T 350.6385 coolant flow 0.3 350.8 temperature T 0 5 time (hrs) 10 0 5 time (hrs) 10 0 5 time (hrs) 10 Figure 1.5165 0 5 10 1.2 350.8 340.8 temperature T 320.537 1.3 330.1 300 299.935 0 5 10 0.1 350 349.9365 coolant flow 0.
417 m3/hr 1.4165 1.06 1.2 degrees 360.1 370 369. 380 K Ti .1 360 359.2 370.8 temperature T 0 5 time (hrs) 10 0 5 time (hrs) 10 0 5 time (hrs) 10 Figure 1.38 CHAPTER 1.0595 1.30: Block diagram of 2 × 2 compartments CSTR model .059 5 10 0 5 10 temperature T 360.3 380.8 370.416 0 5 10 1.2395 0 coolant flow 1.3 360. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS coolant flow 1. 370.4175 1. open loop T ∗ = 360.1 380 379.8 temperature T 380. C1 Tj1 Q3 Tjo T2 .9 379.2415 1.241 1.2405 1.3 370. φ Tj1 Q1 T1 .9 359.2 380. Ci .0605 coolant flow 1.9 369. C2 Figure 1. C2 Q4 Tj2 Q2 Tj2 T2 .24 1.29: Responses on step in coolant ﬂow.
6 0. CONTINUOUS CHEMICAL REACTOR PROCESS DYNAMICS 39 Steady state reactor temperature vs coolant flow 420 400 380 2 x 2 compartments T (degrees) 360 perfect mixing 340 320 300 0.4 5.31: Steady state process operational curve of compartimental CSTR setpoint Tset 335 kmol/m3 degrees 330 325 5 0 2 4 6 temperature T1 8 0 2 5. closedloop control .4 1.2 concentration C1 4 coolant flow 6 8 335 degrees 330 325 m3/hr 0 2 4 6 coolant temperature Tj1 8 2 1 0 0 2 4 6 reaction rate script−R1 8 335 kmol/m3hr 0 2 4 time (hrs) 6 8 degrees 330 325 6 5 4 3 0 2 4 time (hrs) 6 8 Figure 1.8 1 1.32: Compartmental CSTR response on step in Tset .7.1.6 5.6 Figure 1.2 coolant flow (m3/hr) 1.
Relaxing the ideally mixing assumptions The simulation model has been extended by assuming a subdivision into two compartments for both the reaction vessel and the jacket.32 shows the responses for the compartmental model under closedloop control with step disturbance on temperature setpont.31. although the qualitative behaviour is retained. Modelling from a fundamental chemical engineering point of view is considered in Eigenberger [14]. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS 10.. Marquardt [35]. Sargent [45]. Aris [2] and Denn [12]. Weiss and Preisig [48]. see also the earlier work [51]. Asbjornsen [5]. Relaxing the ideally mixing assumption has some inﬂuence on quantitative steady state and dynamic characteristics. The continuous stirred tank reactor has been studied in the classical work of Aris and Amundson [3]. [30]. A systematic way to formulate process models has been developed in Preisig and Kimmich and Rippin [41]. Kubicek and Visnak [24]. The model equations have been formulated for each compartment separately. and Kecman [28]. The role of dynamic modelling in control engineering is considered in Profos [43]. The basic techniques of chemical process modelling are treated in Hartmann and Kaplick [21]. Each compartment is assumed to be ideally mixed. e. Marquardt [34] and Marquardt and Zeitz [36]. and both compartments are connected in series without backﬂow.30. Friedly [17]. Classical references on process modelling are Franks [16]. The heat exchanging area is subdivided into four equal parts. Systematic approaches for model development can be found in Lohmann and Marquardt [32]. Varma and Amundson [47]. The two volumes (in Dutch) on transport phenomena by Van den Akker and Mudde [46] and by Hoogendoorn and Van der Meer [25] provide background on the formulation of basic relations for process models. Introductory treatments of process modeling are Guy [20]. and the full treatment in Polderman and Willems [39]. The details of the modelling of process heat and mass transfer can be found in books like Welty. Wicks and Wilson [49] or Hewitt. Golomb [19].g. Aris [1]. although the steady state values diﬀer. [9]. and Westerweele [50]. Kwatny and Mablekos [29]. Profos [42] or Bub and Lugner [10].1 can be found in Kalman [27]. Luyben and Wenzel [33].40 CHAPTER 1. Ljung and Glad [31] consider some elementary dynamic modelling issues in their relationship with system identiﬁcation. taking into account the partial volumes and heat exchange areas. 1. [15]. The multiplicity of steady states has been studied by many researchers. [13]. The steady state process operational curve for the compartmental model is compared with the original model in ﬁgure 1. The responses show considerable agreement in their form with those of ﬁgure 1. Further discussions can be found in Paynter [38]. and Georgakis [18]. Process modelling for process control is treated in Ogunnaike and Ray [37].24. Shires and Bott [22]. Dunn and Heinzle [26].8 Literature for this Chapter Basic technical and philosophical ideas of modelling as given in section 1. Roﬀel and Rijnsdorp [44]. and Cicarelli and Aris [11]. Hlavacek. A system theory that deﬁnes physical models without a priori distinction between inputs and outputs has been proposed by Willems [52]. and of phase equilibrium process modeling are addressed in Ponton and Gawthrop [40]. [4]. according to the block scheme in ﬁgure 1. [6]. and in Ingham. The formulation of conservation laws for the general microscopic and macroscopic situations and for a variety of boundary conditions and coordinate frame descriptions are discussed in Himmelblau and Bischoﬀ [23] and in Bird et al. Figure 1. and an approach towards hybrid models is provided in Barton and Pantelides [8]. . Balakotaiah and Luss [7].
An analysis of chemical reactor stability and control. 7:132–147. Ebert and P. Amundson. FRG. Transport Phenomena. Chemical Engineering Science. In C. editor. Mathematical Modelling Techniques. MA. 1979.. Barton and C. R.. Morari. Aris. Chemical Engineering Science.. Amundson. Asbjornsen. Denn. Luss. Deuﬂhard. Aris. [13] M. T. Systematik der Modellbildung. pages 139–182. Continuous reactions in a nonisothermal CSTR. Pitman Publishing Ltd. Bub and P.I. Modeling techniques: theory and practice. [6] O. In I. New York. 1980.. London. Eigenberger. Inc. NY. [5] O. John Wiley and Sons. In K. 1994. Analysis of the multiplicity patterns of a CSTR. Heidelberg. Teil 1: Konzeptionelle Modellbildung. John Wiley and Sons. 1994. Int. Control and Dynamic Systems. Control and Dynamic Systems. editor. Stewart. In D. 2526 M¨rz 1992. BRD. 1981. [10] W. with perfect or imperfect control mechanisms. Pantelides. a Nr. pages 147–194. 1985.1. Houston TX. [7] V. Harlow. 1958a. Process Modeling. editors. UK. Longman Scientiﬁc and Technical. R. G. 1987. M. Aris. Method in the modeling of chemical engineering systems. I. Academic Press. pages 284–304. D¨sseldorf. Proc. editor. C. Leondes. UK. Chemical Engineering Science. Modeling for process control. Process Control Research: Industrial and Academic Perspectives. Asbjornsen. editors. Lightfoot. Lugner. The evolution of proportional control. GMA Aussprachetag. Multiplicity of steady states. M.. NY. dec. Springer Verlag. W. u [11] P. 1960. H. Aris and N. 1978. [14] G. An analysis of chemical reactor stability and control. NY. Modeling Identiﬁcation and Control.. E. 7:121–131. Chemical Engineering Communications. volume 15. Denn. Leondes. 1979. New York. 40:966–979. A. Mathematical Modeling in Chemical Engineering. M. Prett and M. Inc. 1958b. Butterworth Publ. N. Langen. and E. New York. . T. [12] M. 1518. In C. Troch.. Franks. [8] P. Aris and N. Academic Press. 1967. [9] R. The possibility of local control. VDI Verlag. Boston. Essex. pages 1–18. pages 41–98. B. Bird. September 15. NY. 13:111–132. 1981. 6:105–125. 1992. A. New York. Modeling of combined discrete/continuous processes.8. [3] R. Modelling of Chemical Reaction Systems. 49:621–631. The Shell Process Control Workshop. Workshop. Modellbildung f¨r Regelung und Simulation: Methodenu WerkzeugeFallstudien. [15] R. 1986. 925. Balakotaiah and D. Berlin. volume 15. A systems engineering approach to process modeling. Cicarelli and R. E. [4] R. II. [2] R. VDI Ber. Modelling and simulation in industrial chemical reaction engineering. LITERATURE FOR THIS CHAPTER 41 References [1] R. AIChE Journal. 1986. I.
Computers and Chemical Engineering. G. Modeling of Dynamic Systems. Heinzle. G. Deterministic Systems. Franks. 1968. In Proceedings of the 1975 IEEE Conference on Decision and Control. H. pages 493–505. Process Heat Transfer. Delftse Uitgevers Maatschappij. Comments on the scientiﬁc aspects of modeling. Hartmann and K. Kubicek. Kwatny and V. John Wiley and Sons. Carlsen. F. NorthHolland Publishing Company. Kwatny and V. Nederland. G.. Visnak. Hoogendoorn and T. I. In M.. [22] G. Chemical Engineering Dynamics. and E. 1986. Guy. pages 368–392. 1994. Bott. Mathematical models: uses and limitations. Kaplick. On the systematization of the process of model development.. [31] L. New York. E. Systems Engineering for Power: Status and Prospects. IEEE. Henniker. Fysische Transportverschijnselen II. [21] K. USA. R. NY. Boca Raton. CRC Press. Engineering Foundation Conference. Shires. [24] V. Chemical Engineering Science. Process Analysis and Simulation. Hewitt. 1971. L. 1990. E. 1988. Ingham. Modelling of chemical reactors XXVI. 1983.. Multiplicity and stability analysis of a continuous stirred tank reactor with exothermic consecutive reactions A → B → C. 20:S213–S218. On the modeling of dynamical processes with applications in power systems engineering. M. New York. August 1722. [20] J. Lohmann and W. 1012 December 1975. 1996. IEEE Transactions on Reliability.. NH. Marquardt. USA. 1972. Elsevier Publ. NJ. C. Springer Verlag. Georgakis. [25] C. Friedly. 1991. Englewood Cliﬀs. 1994. Kecman. B. Inc. StateSpace Models of Lumped and Distributed Systems. H. In L. 1975. and T. J. E. Springﬁeld. McGrawHill Book Co. Himmelblau and K. [30] H. USA. 1975. The Netherlands. J. Glad. Inc.42 CHAPTER 1. Houston. E. New York. BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS [16] R. NY. Analysis and Synthesis of Chemical Process Systems. W. 1975. Chemical Engineering Science. Van der Meer. [19] S. [29] H. [28] V. Mablekos. 20:130–131. Golomb. FL. NY. 41:1471–1484. John Wiley and Sons. Inc. NJ. Dunn. [32] B. G. New York. Texas. [26] J. Weinheim. On the use of extensive variables in process dynamics and control. 1972. 27:719–742. Englewood Cliﬀs. Mablekos. L. editors. Berlin. 1972.. Bischoﬀ. The modeling of dynamical processes. Dynamic Behavior of Processes. and K. Delft. Ljung and T. M. 1974. pages 271–281. Hlavacek. Kalman. volume 112 of Lecture Notes in Control and Information Sciences. Marois.Germany.. Amsterdam. [27] R. Fink and K. NY. New CE Refresher: Process Dynamics. [18] C. . NTIS. Prentice Hall. editor. Modelling with PC Simulation. 1994. VCH Verlagsgesellschaft. Towards a Plan of Actions for Mankind. Modeling and Simulation in Chemical Engineering. [23] D. W. Amsterdam.. [17] J. Prentice Hall. Inc.
Van den Akker and R.. [41] H. Profos. Ray. USA. USA. Rijnsdorp. Dynamic process simulation: Recent progress and future challenges. Profos.. NY. [36] W. Langen. 1722.8. W. Computers and Chemical Engineering. Ponton and P. [42] P. Turkey. Mudde. The MITRE Corporation. Process Dynamics. M. Systematic construction of dynamic models for phase equilibrium processes. 1998. pages 131–180. 51:206–226. 1991. Inc. pages 5–12. 94:282–284.CPC IV.. MA. 276.1. A study of dynamic system modelling. Inc. [40] J. Some observations on uniqueness and multiplicity of steady states in nonadiabatic chemically reacting systems. Marquardt. 25 und 26 April 1977. Bedford. W. Preisig. Ann Arbor. Methods of Model Based Process Control. Nederland. 15:803–808. A. In I. [43] P. A. W. In Y. Modellbildung und ihre Bedeutung in der Regelungstechnik. C. Towards a process modeling methodology. Arkun and W. Kluwer Publ. Chemical Process Control . Process Dynamics.. Tagung Wiesbaden. and Control. NY. editor. pages 187–206. VDI Ber. Springer Verlag. Berkowitz. editor. . Marquardt. [46] H. 1996. Modeling. Ray. the Netherlands. BRD. 1992. Some considerations on theoretical process modeling. nov. New York. USA. Ogunnaike and W. [39] J. Prentice Hall. GMA Aussprachetag. Thermoﬂuid process dynamics in boiler modeling. 1988. NJ. Ann Arbor Science Publishers. 1975. New York. VDI Verlag. 1972. Nr. M. Fysische Transportverschijnselen I. USA. MI. a u pages 307–341. 1977. R. u [44] B. Chemical Process Analysis: Mass and Energy Balances. 2526 M¨rz 1992. A Behavioural Approach. Measurement. editors. MA. Willems. LITERATURE FOR THIS CHAPTER 43 [33] W. 1991. [38] H. Delftse Universitaire Pers. Introduction to Mathematical Systems Theory. 1994. USA. J. A. Computers and Chemical Engineering. VDI Verlag. Marquardt and M. 1983/84. Trans.. 1974. and Protection. august 717. pages 3–40. Proceedings of the 4th Engineering Foundations Conf. H. Proceedings of the NATO Advanced Study Institute. Polderman and J. H. Wenzel. Berber. E. feb. Antalya. and D. In D. Troch. Rippin. Isermann. 12:455–460. Advances in modelling and analysis of chemical process systems. Oxford University Press. H. Zeitz. Delft. Computers and Chemical Engineering. Prozessmodelle 1977. Kimmich. American Institute of Chemical Engineers. VDIBerichte Nr. Sargent. 1973. South Padre Island. In R. TX. 7:219–237. Modellbildung f¨r Regelung und Simulation: MethodenWerkzeugeFallstudien. L. Modellbildung und Identiﬁkation technischer Prozesse... editor. F. New York. Luyben and L. Control. 1988. 1994. W. Canadian Journal of Chemical Engineering. Englewood Cliﬀs. Gawthrop. Proceedings of the Seminar on Boiler Modeling. 1991. A. 1982. 925. and Control. D¨sseldorf. 1995. [35] W. Amundson. editor. A. 67. Roﬀel and J. [34] W. In R. [47] A. [45] R. Rechnergest¨tzte Modellbildung in der Verfahrenstechu u nik. D¨sseldorf. ASME / Journal of Dynamic Systems. T. Dordrecht. Bedford. Paynter. Varma and N. E. [37] B.
BASIC MODELLING OF DYNAMIC ENGINEERING SYSTEMS [48] M. R. Paradigms and puzzles in the theory of dynamical systems. Structural analysis in the dynamical modelling of chemical engineering systems. Fundamentals of Momentum. [51] J. Willems. C. E. [52] J. 2000. 10:71–106. 3rd Edition. 6:325– 364. Willems. . Inc. Heat. 1991. John Wiley and Sons. R. NY. Mathematical and Computer Modelling of Dynamical Systems. E. 1984. C. Westerweele. [50] M. Weiss and H. Welty. New York. and Mass Transfer. 2003.. Technische Universiteit Eindhoven. PhD thesis.44 CHAPTER 1. Wilson. Five steps for building consistent dynamic process models and their implementation in the computer tool Modeller. IEEE Transactions on Automatic Control. 36:259–294. System theoretic models for the analysis of physical systems. 1979. Ricerche di Automatica. Wicks. Preisig. and R. [49] J. A. C.
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