SYSTEM DYNAMICS

SIMULATION

BASIC DEFINITIONS
System

A collection of elements which continually interacts over time to

form a unified whole. It is a set of detailed methods, procedures
and routines created to carry out a specific activity, perform a
duty or solve a problem.

Dynamic
System

A system in which the variables interacts to simulate changes

over time.

Structur
e

The pattern of interactions between the elements of a system

Behavio
ur of
system

The way the elements or variables composing a system interacts.

E.g.:- rubbing a chalk results in converting it into powder. So the
behaviour of converting chalk into powder is the behaviour of the
chalk.

Simulati
on

It is a problem solving technique which contains phases:1.Development of a model of the system.

2.Operation of model(generation of output).
3.Observation and interpretation of the resulting outputs.

SIMULATION

CLASSICAL
SIMULATION

SYSTEM DYNAMIC
SIMULATION

Classical Simulation:-The procedure of this simulation involves decomposition of the

problem in order to aid the system description. When the main elements of the system are identified,
the proper mathematical description is provided for each of them.
The procedure continues with computer coding of the mathematical description of the model. Each
model parameter is then calibrated and the model performance is verified.
The completed model is then operated using a set of input data. Detailed analysis of the resulting
output is the final step in the simulation procedure.
Disadvantage:-If there is a need for modification of the system description or model procedure, the
whole process starts again and the model has to be recorded, calibrated and verified again before use .

System dynamics simulation:- It is a rigorous method of system description, which

facilitates feedback analysis via a simulation model of the effects of alternative system structures and
control policies on system behaviour .
The advantage of system dynamics simulation over classical simulation are:1.Simplicity of use of SDS applications
2.Applicability of system dynamics general principles to social natural and physical system
3.Ability to address how structural change in one part of the system might affect the behaviour of the
system as a whole
4.Combined predictive(determine the behaviour of a system under particular input conditions ) and
learning (discovery of unexpected system behaviour under particular input conditions) functionality
5.Active involvement of stake holders in the modelling process

FEEDBACK
RELATIONSHIPS

+ve feedback

Feedback loop reinforces change with even more

change.
It can lead to rapid growth at an ever-increasing rate.
In the early stages of the growth it seams to be slow
but then it speeds up.
E.g.:- in managed systems, may be valuable as an
engine
of growth
-ve
feedback
Feedback loop seeks a goal.
If the current level of the variable of interest is above
the goal, then the loop structure pushes its value
down, while if the current level is below the goal, the
loop structure pushes its value up.
E.g.:- in water resource system

Feedback loop

+ve feedback

-ve feedback

Generic patterns of behaviour in water resources

systems simulation

There are 6 patterns of behaviour.

The vertical axis shows a variable of interest.

An initial quantity of something starts to

grow and the rate of growth increases.
E.g.:- increase in pollution, water
demand, sales of water

In this behaviour the quantity of

interest starts either above or below a
goal level and over times move
towards the goal.
E.g.:- water is released from a
reservoir into an irrigation canal.
In this, the initial exponential growth is
followed by goal-seeking behaviour.
It results in the variable levelling off.

 The quantity of interest fluctuates around

a level.
The oscillation initially resembles
exponential growth and then appears to be
s-shaped before reversing direction.

It is a combination of all 4 patterns

In this behaviour, the quantity of interest will
overshoot the goal first on one side and then
the other.
The amplitude of these overshoots declines
until the quantity stabilizes at the goal.
It results when there is excessive time delays
in loop or from too violent.
It is a combination of overshoot and collapse.
It happens when resources are initially ample,
the positive loop dominates and the state of
the system grows exponentially. As it grows
resource adequacy drops.
The ve loop gradually gains in strength and
the state of the system starts of decline.

Casual loop diagram

When an element of a system indirectly influences itself, the portion of the

system involved is called a feedback loop. A map of the feedback
structure - an annotated causal loop diagram -of a simple engineering
system as shown above, is a starting point for analysing what is causing a
particular pattern of behaviour. This figure considers a simple process, filling
a storage tank with water. It includes elements, and arrows (which are
called causal links) linking them , and also includes a sign (either + or -) on
each link. These signs have following meanings: A causal link from one element A to another element B is positive (that is,
+) if either (a) A adds to B or (b) a change in A produces a change in B in
the direction.

Drawing a casual loop

diagram
Decide which events are of interest in
developing a better understanding of
system structure

From these events, move

to showing(quantitatively)
the pattern of behaviour
over time for the
quantities of interest

Once the pattern of behaviour is

determined, use the concepts of
behaviour, to begin constructing a
casual loop diagram which will
explain he observed pattern of

Guidelines for drawing casual loop diagram

Suggestion 1
Think of the elements in a casual loop diagram as variable which can go
up or down, but dont worry if you cannot readily think of existing
measuring scale for these variables
Use noun or noun phrases to represent the elements rather than verb
Be sure that the definition of an element makes it clear which direction
is positive and which is negative.
Generally it is clearer if you use an element name for which the positive
sense is preferable.
Causal links should imply a direction of causation, and not simply
sequence. That is, a positive link from element A to element B docs not
mean first A occurs and then B occurs. Rather it means, when A increase
then B increases.
Suggestion 2
As you construct links in your diagram, think about possible unexpected
side effects that might occur in addition to the influences you are drawing.
As you identify these decide whether links should be added to represent
them.
Suggestion 3

 Suggestion 4
A difference between actual and perceived states of a process can often
be important in explaining patterns of behaviour. Thus, it may be
important to include casual loop elements for both the actual value of a
variable and the perceived value. In many cases, there is a lag (delay)
before the actual state is perceived. For example when there is a
change in water quality, it usually takes a while before we perceive this
change .
Suggestion 5
There are often differences between short-term and long-term
consequences of actions, and these may need to be distinguished with
different loops.
Suggestion 6
If a link between two elements needs a lot of explaining, you probably
need to add, intermediate elements between the two existing elements
that will more clearly specify what is happening.
Suggestion 7
Keep the diagram as simple as possible, subject to the earlier
suggestions, The purpose of the diagram is not to describe every detail

Example of casual loop diagram

Lake eutrophication causal Loop diagram

Casual loop diagrams are very useful in many situations. They are well
suited to represent interdependencies and feedback processes. They can
be used effectively at the start of any modeling project to capture mental
models. However, they are unable to capture the stock and flow structure
of systems.
Stock and flows along with feedback are the two central concepts of

Stocks and flows

Stock and flow notation provides a general way to graphically characterize
any system process.
Variables of a process can be of two types i.e., stocks (levels,
accumulation)
and flows
(rates)
Stocks
give systems
inertia
and provide them with memory. Stocks create
delays by accumulating the difference between the inflow to a process and
its outflow. By decoupling rates of flow stocks are the source of
disequilibrium dynamics in systems.

Diagraming notation

If the inflow is equal to

outflow a state of dynamic
equilibrium is reached in
system dynamic model
Principle of accumulation:Acc. To this , dynamic
behaviour arises when
something flows through
the pipe and faucet
assembly and collects in
the stock.

STOCKS
It is explained by accumulation or
levels
Stocks can be used to depict
material and nonmaterial
accumulation

FLOWS
It is explained by flow rates
Flows are used to depict activities
(i.e., things in motion), valve
control the flow

Do not disappear if time is stopped

Disappear if time is stopped

A stock can be thought of as a

bathtub

flow can be thought of as a faucet

and pipe assembly that fills or
drains the stock.
The associated flows must be
measured in the same units per
time

Stocks are usually a quantity such

as amount of water in storage,
people employed.
E.g.:- wealth is a stock since it can
be measured at a point of time

E.g.:-income is a flow because it

can be measured over a period of
time

System dynamics principles

Principle 1.
A feedback system is a closed system. Its dynamic behaviour arises within
its internal structure. Any interaction that is essential to the behaviour
mode being investigated must be included inside the system boundary
Principle 2
Every decision is made within a feedback loop. The decision controls
action which alters the system state which influences the decision. A
decision process can be part of more than one feedback loop.
Principle 3.
The feedback loop is the basic structural element of the system.
Dynamic behaviour is generated by feedback. The more complex
systems are aggregations of interacting feedback loops.
Principle 4.
A feedback loop consists of stocks and flows. Except for constants
these two are sufficient to represent a feedback loop. Both are
necessary
Principle 5.
Stocks are integrations . The stocks integrate the results of action in a
system. The stock variables cannot change instantaneously. The stock
create system continuity between points in time.

Principle 6.
Stocks are changed only by the flows . A stock variable is computed by the
change, due to flow variables, that alters the previous value of the stock.
The earlier value of the stock is carried forward from the previous period. It
is altered by flows over the intervening time interval. The present value of
a stock variable can be computed without the present values of any other
stock variable
Principle 7.
Stocks and flows are not distinguished by units of measure. The units of
measure of a variable do not distinguish between a stock and a flow. The
identification must recognize the difference between a variable created by
integration and one that is a policy statement in the system.
Principle 8.
No flow can be measured except as an average over a period of time. No
flow can control another flow without an intervening stock variable.
Principle 9.
Flows depend only on stocks and constants. No flow variable depends
directly on any other flow variable. The flow equations of a system are of
simple algebraic form .They do not involve time or the solution interval.
They are not dependent on their own past values .
Principle 10.
Stock and flow variables must alternate. Any path through the structure of a
system encounters alternating stock and flow variables.

Principle 11.
Stocks completely describe the system condition. Only the values of the
stock variables are needed to fully describe the condition of a system.
Flow variables are not needed because they can be computed from
stocks,
Principle 12.
A policy or flow equation recognizes a local goal towards which that
decision strives. It compares the goal with the current system condition
to detect a discrepancy, and uses the discrepancy to guide the action.

Examples of Stock and

Flows

Thermostat temperature control

flow diagram

Solid waste generation flow diagram

Introduction to system dynamics simulation

Mathematical meaning of stock and flow diagrams.
Slacks accumulate or integrate their flows:

In differential
form

Where inflow(s) is the value of the inflow at any time s between the initial
time to and the current time t. Eventually the rate of change of any stock
can be represented with its derivatives.

hydraulic metaphor for stock and flow

diagram

System dynamics models are systems of nonlinear ordinary

differential equations . In simpler form replace the integral with the
INTEGRAL () function; replacement of Inflow with I, Outflow with O
and Slock with S -we can rewrite above equation as follows:
and express inflows and outflows as:

where U is any exogenous variable and C is a

constant.
For realistic system dynamics model: Analytical solutions cannot be found.
Behaviour of such models must be computed numerically.
Most common system dynamic tools like Vensim (a tool for
numerical integration) helps in such situations.
Vensim provides euler method or Runge-kutta for numerical
integration.
Vensim uses euler integration as its default simulation method.
Denoting the time interval between period as dt, the assumption of
constant flow during the interval implies :
Si+dt = Si + dt*(Ii-Oi) (Euler integration)

The assumption that flows remain constant throughout the time interval dt
is reasonable if the dynamics of the system are slow enough and dt is
small enough. The definitions of reasonable and slow enough depend on
the required accuracy, which depends on the purpose of the model.
As the time step gets smaller, the accuracy of Euler's approximation
improves.
At the limit, when dt becomes an infinitesimal moment of time the above
equation reduces
to the exact continuous-time differential equation
governing the dynamics of the system:

The use of a finite time step and resulting approximations of flows over
the interval introduce error, know as integration error or dt error.
This error depends on how quickly the flows change relative to the time
step.
The faster the dynamics of the system, or the longer the dt the larger
the integration error.

Practical recommendation to select

time step

Select a time step for your model that is a power of 2, such as 2, 1,0.5
, 0.25, etc.
Make sure your time step is evenly divisible into the interval between
data points
Select a time step one-fourth to one-tenth as large as the smallest
time constant in your model.
Test for integration error by cutting the time step in half and running
the model again. If

there are no significant differences, then the

original value is fine. If the behaviour changes significantly, continue

to cut the time step in half until difference

in behaviour no longer

matter.
Note that Euler integration is almost always fine in models where there
are large errors in parameters, initial conditions, historical data and
especially model structure. Test the robustness of your result to Euler

Example:-Let us consider a small community that is growing in

population. Water supply for the community comes from the groundwater
aquifer, which can support the growth up to a certain level. With more
potential customers in the community, water production from the aquifer
will increase. With higher water production., the more actual customers
there will be . However, the higher water production brings awareness
that the aquifer has limited capacity, and that inversely affects potential
customer. The more water produced reduces the aquifer capacity and
Solution:-From the annotated casual diagram of the problem it seems
makes less water available for new customer.
the problem is of a negative feedback loop.

Groundwater aquifer
production causal diagram

Groundwater aquifer production

flow diagram

The number of potential customers at any time t is equal to the number

of potential customers at the starting time minus the number that have
left the community because of water production problem.
If water production is measured in customers supplied per unit time, and
there were initially 1 million potential customers, then:

Where initial time =t and is the integration variable.

Similarly, if we assume that there were initially zero actual
customers, then

Stands for:Potential customers - who wants water

Actual customers who are getting
water

Process illustrated by the above two equations can be generalized to any

stock. In the case of' software such as Vensim, once we have drawn a
stock and flow diagram, the program enters the equation for the value of
any stock at any time without your having to give any additional
information except the initial value for the stock.
However, we must enter the equation for the flows. There are many
possible flow equations which are consistent with the stock and flow
diagram. Let's say that if we provide the accurate information about
available water to potential customers, then 2.5 per cent of the potential
customers each month decide to move to the community and become
actual customers
Water
ofproduction(t)
the water agency.
=0.025
Then
x Potential
the flow equation is:
customers(t)
Above differential equations can be solved by using software like
Vensim or any other.

Vensim equations for the groundwater production model

Vensim output time histories for groundwater production

(Results obtained by Eulers integration)

Formulating and analysing a system dynamics

simulation model

The following steps are a useful for analysis and formulating:Issue statement
It is simply a statement of the problem which makes it clear what the
purpose of the model will be.

Variable identification
Identification of key quantities that will need to be included in the
model for the model to be able to address the issues at hand.
It can sometimes be useful just to write down all of the variables that
might be important and try to rank them in order to identify the most
important ones.
Reference modes
Reference mode is a pattern of behaviour over time.
Reference modes are drawn as graphs over time for key variables, but
are not necessarily graphs of observed behaviour. Rather, they are
cartoons that show a particular characteristic of behaviour that is
interesting.
For example, a Water company's Water sales history may be growing
but bumpy, and the reference mode may be the up and down movement
around the growth trend.
Reference modes can refer to either past behaviour or future behaviour.

Realty Check
Define some realty check statements about how things must interrelate.
These include a basic understanding of what factors are involved and
how they interact, along with the consequences for some
variables of significant changes in other variables.
Realty check information is often simply recorded as notes about what
consequences need to exist.
Dynamic hypothesis
It a theory about what structure exists that generates the
reference mode.
A dynamic hypothesis can be stated verbally, as a causal loop diagram or
a stock and flow diagram. The dynamic hypotheses you generate can be
used to determine what will be kept in models, and what will be excluded.
Like all hypotheses, dynamic hypotheses are not always right. Refinement
and revision is an important part of developing good models .
Simulation models
It is the refinement and closure of a set of dynamic hypotheses to an
explicit set of mathematical relationships.
These models generate behaviour through simulation.
A simulation model provides a laboratory in which you can experiment to
understand how different elements of structure determine behaviour.
This process is iterative and flexible.

Example:-The prototype bathtub example asks to create a simulation

model for taking a bath , with the following characteristics:
I. The faucet (tap) has a maximum flow of2litres/min, and is turned on
until the tub is filled. Assume that the tub is considered filled when
the volume in it reaches 40 Litres.
II. You are to bathe for exactly 20 min. Note that during bathing, no
water should leave the tub.
III. After bathing, you unplug the drain and the water should leave the
tub. Assume the outflow rate depends on the amount of water in the
tub. (This makes intuitive sense, as a higher pressure head will
induce higher exit velocity.) . The maximum outflow of 2 litres/min
should occur when the tub is completely filled (i.e., at 40 litres) and
the minimum outflow of 0 litres/min should occur when the tub is
empty (i.e., at 0 litre).
Find:(a) How does the water volume in the tub change over time?
(b)How long will it take for the water to completely drain from the tub?

Solution:Develop the model using Vensim by specifying the following simulation

model time setting:
Initial time , to = 0

The basic model structure should involve one stock variable water in tub,
and two flow variables, faucet flow and drain flow. The volume of water in
tub increases through the flow of water from the faucet and decreases
through the drain outflow. Starting model structure is as follows.

Simple bathtub model flow diagram

Since the problem statement requires controls of both flows, we shall add
two auxiliary variables to our model: faucet control and drain control.
The modified model is:

Modified bathtub model

 Both faucet and drain control are functions of time.

Therefore we shall add one more auxiliary variable, time, which will allow
time counting for setting our flow controls. Note that time is an existing
variable in Vensim.
Drain flow requires a link with the amount of water in the tub. To
accommodate that requirement , let us introduce one more auxiliary
variable that will assist in expressing drain flow as a function of water in
tub. Name this variable drain function. The complete bath model
structure is now shown below.

Complete bathtub model

structure

Now enter the model equations and data.

Start with stock variable:Initial value of water in tub=0
Faucet flow is constant and is equal to 2 lit/min

Thus, we shall set the Faucet control

equation as:
Faucet flow = Faucet
control x 2
A similar logical statement
will be used for setting the drain
control variable:-

Next define the auxiliary variable called drain function, which will be
a graphical function of water in tub. This function is an increasing
function , as more water in the tub implies higher outflow. We shall
define the x-range from 0 to 40 and the y-range from 0 to 2, and enter
the two values: (0,0) and (40,2). Note that the input variable is water in
tub, and that the output variable is drain function. This graphical

Vensim screen shot of the Drain

function
At the end we shall define the equation for drain flow as:
Drain flow = drain function *
drain control
Now the model is complete and ready for simulation.

Vensim equations of the complete bathtub model are:-

Change of water volume in the

tub over time

Results of bathtub
simulation

A system dynamic approach for exploring the effects of climate change

risks on firms' economic Journal
performance
of Cleaner Production 103 (2015) 499-506
This paper aims to develop a system dynamic model to improve the
understanding of academics and managers regarding the impact of climate
change on business operations. The proposed model highlights the
influences of climate change policy, stakeholders perceptions (e.g.
customers and investors) and of extreme weather events on business
operations. The formation of the model is firstly based on some key
propositions developed from the analysis of the current literature on
corporate
climatein change.
proposed
model
was
Three case strategies
studies wereand
conducted
ski resortsThe
in Greece
and over
twenty
developed
using
the agribusiness
STELLA software
program.
cases studies
in the
in Northern
Greece where climate change
impacts are more significant through extreme floods and droughts.
Propositions:
Possible financial
costs, production
and
operation
risks, the
concern
ofPhysical climate change risk
stakeholders
for(extreme weather event)
business viabilityRegulatory climate change risk
and the increaseReputation climate change risk
of
Litigation climate change risk
the market share

The key propositions arising from the above analysis are:

P1. Physical risks will negatively affect firms according to the level of
vulnerability of the sector in which they operate
P2. Physical risks will affect the operations of firms either directly (e.g.
mitigation or adaptation strategy) or indirectly (e.g. financial costs from
disruptions of operation.
P3. Command and control climate change policies will force firms to
adopt climate change mitigation and adaptation strategies by increasing
total costs.
P4. Market-based climate change policies might drive firms to adopt
climate change mitigation and adaptation strategies by increasing total
costs
P5. Stakeholders' interest in climate change topics might affect firms to
adopt relevant strategies by increasing total costs
P6. The absence of climate change strategies might cause reputational
risks for firms.
P7. The non-compliance of firms with climate change policy requirements
may result in additional and sudden costs.
P8. second
Climatescenario
change hypothesizes
mitigation andthat
adaptation
strategies
create
The
firms have
investedshould
in mitigation
innovations
which
decrease
total costs
to firms.
and
adaptation
strategies
as athe
response
to climate
public policy namely
P9. Climateand
change
strategies
may strengthen
the willingness-to-pay
of
command
control
instruments
(e.g. legislation)
and market-based
consumers (e.g.
that are
sensitive
totradable
climate permits
change emissions).
rhetoric.
instruments
energy
taxes,
The fourth scenario hypothesizes that firms pay a fine due to either noncompliance with the requirements of environmental legislation or from

Causal loop diagram

A simple system dynamic model has been developed using STELA software
showing how climate change risks could affect, both positively and
negatively, the economic performance of firms. This model aims to assist
in the understanding of academics and managers for the what if
scenarios
for climate
risks model which have been organized in
The key variables
of change
the proposed
two main sets: the financial performance of firms (e.g. the corporate
economic performance)
and the effects of climate change on firms' operation (e.g. corporate
climate change performance). Economists have examined the evolution of
corporate profits under different market conditions (e.g. perfect
competition, oligopoly and monopoly), demographic conditions (e.g.
increase of population, the composition of population), macroeconomic
conditions (e.g. inflation, and various levels of risk taken by managers (e.g.
risk takers, risk
neutral,
risk averse)).
the model,
economic
The totaland
revenue
(TR) is In
calculated
asthe
thevariable
productcorporate
of the price
(P) and
performance
(e.g.The
profits)
standard
relationship
of the
sales (Quantity).
totalarises
costsfrom
(TC) the
consists
of the
fixed costs
(FC) and
revenue
minus
the(VC).
costs as the classical economics and business literature
the variable
costs
show
In the case of this model, the total cost includes the firms' expenditures for
the climate change adaptation and mitigation strategies and rate of fines.
The potential physical risks in the cases where firms have unexpected
financial losses from an extreme weather event (e.g. droughts and floods)
are also added to TC. The financial losses of physical risks are associated
with the severity of the damage and the probability of an extreme events
happening (Risk = Damage*Probability). The expenditures of firms are also

The dynamic business climate change model

The trends of key

variables of the
first scenario

The trends of key

variables of the
second scenario

The trends
of the main
variables in
the third
scenario

The trends of
key variables
of the fourth
scenario

Dynamic simulation with process

Dynamic simulation iscontrol
an advanced process simulation

activity, by

integrating in the
same simulation environment design, operation and control.
Compared with steady state simulation, both modelling and software
technology are much more demanding.
A simple flash cannot be seen only as a 'generic' multi-phase equilibrium
vessel, but needs the specification of the vessel type and geometry, as well
as the relation between flow and
pressure drop for inlet and outlet lines. In addition, key operating variables,
as levels,
temperatures or pressures, should be kept at desired values by means of
Dynamic flow sheeting is based on the unsteady state balance of mass
controllers.
and energy, and may be formulated in general terms by the following
Therefore, dynamic simulation without process control implementation has
equation:
little practical sense.

The material holdup is

designated often in process
control studies by
'inventory'.

The accumulation rate may be expressed in term of total mass M or

energy E of the
system, denoted as time-derivatives dM/dt and dE/dt.
In systems with chemical reaction it is useful to consider the molar rate
variation of individual components, dNi / dt. The accumulation can be
expressed by means of a holdup term as the product of an intensive
holdup
= (intensive
x enthalpy, by the control
property, as density,
concentration,
orproperty)
volumetric
volume
volume:
Unlike in steady state simulation, in dynamic simulation the
geometrical characteristics of the system are always required.
Intensive variables entering in the accumulation term are designated by
state
variables.
The unsteady
state balance equations must be completed with
constitutive
equations, which are relations between some state variables, usually
expressing natural
laws or the kinetics of transport phenomena. Examples are P VT
relations, as equations
The mathematical complexity increases considerably
of state, or kinetics expressions, phase-equilibrium factors, etc.

from steady state to dynamic simulation, changing from

algebraic to differential-algebraic equations.

From mathematical viewpoint we may distinguish between

two categories of models:

Example:-Analyse the dynamic behaviour of an isothermal continuous

stirred tank reactor (CSTR) with a first-order irreversible reaction.
Solution:The control volume V is the reacting liquid. Concentrations and
temperature are
uniform and equal with outlet values. Mass flow rates of input and output
streams are
Gin, and G, respectively. The non-stationary overall material balance
gives:
Mass holdup m is the product of liquid density p
by volume V:
m= pV
The material balance of the component "i" has the form"
where mi is the partial holdup, gi,in, and
The constitutive relations that complete the physical description are:
g
weight
i being the
Kinetics.
Assume
first order irreversible reaction A ---> B. The reaction
fractions in input and output streams,
rate is:
respectively. If the molar reaction rate is ri the consumption/generation
rate by chemical reactions is expressed by r iVMi .

Mixture density. The density can be expressed as a function of

temperature and
composition
P = P(Pi, T, gi )
The initial conditions are: t = 0, V = Vo, mi = mi,o
The integration of the above two equations can be done with standard
mathematical
tools. Two routines should be programmed to calculate the density and the
reaction rate.
In the above analysis the equations have been written in terms of weight
and weight fractions. Alternatively, we may write the equation as molar
mass
balance:
F , and
F are inlet and outlet molar flow rates of components, and c molar
i,in

concentration inside the reactor.

To get more insight into process dynamics we assume constant density
and consider
that input and output volumetric flows are equal Qv = Qv,in = Qv . As a
result, the total
holdup is constant, so that dm/ d t = 0. The unsteady state material
balance equation of
Input
and output
molar flows can be written as FA,in = Qv,in, CA,in, and FA =
the
reactant
A becomes:
QvCA. Note
that the ratio between volume and volumetric flow designates a dynamic
characteristic
of a CSTR, the reaction time r.

= QcAin-QcA -kcAV = Q(cAin-cA)-kcAV

The above equation can be re-written in dimensionless form by
introducing
dimensionless concentration CA = cA / cA,in, dimensionless time, = t / ,
and the
Damkohler
CA =cA/cA,innumber Da = k , as follows:
=t/
* d /dt =
dCA/dt = 1/cAin*dcA/dt
=t
1
VdcA/dt= Q(cAin-cA)-kcAV

dcA/dt= Q/V(cAin-cA)-kcA dcA/dt= ((cAin-cA)-kcA)/

1/cAin*dcA/dt= ((cAin-cA)-kcA)/cAin

dCA/d= ((1-CA)-DaCA

At steady state cA = CA,s. and the dimensionless

concentration is:
The initial condition is:
By integration:

Following Fig. presents the transient of a CSTR for CA, o= 1 with Da= 1 and
Da=3.
Faster reaction gives higher conversion, but
shorter transient.

Variation of concentration in a transient CSTR

reactor

Here we add the energy balance that may be formulated as following:

The heat transfer term can be calculated by assuming that the thermal
agent has a
constant temperature T:

In a tubular reactor, the concentration and temperature may vary both

in time and space.
One speaks about a distributed system. The ideal plug flow reactor (PFR)
model is the
most used. Because of the fiat velocity profile, the concentrations and
temperature
varies only along the length. Consider for simplification a homogeneous
reaction. The
The first term accounts for accumulation, the second for convective
unsteady state material balance of the reactive species leads to the
transport with the
following equation:
velocity Uz in the direction z, and the third for chemical reaction. The
energy balance
gives the following equation for the temperature profile"
The solution of the above equations requires both initial and boundary
conditions.
Usually the transient begins from the stationary state, so that at t=0 the
profiles ci,s(O,z)
and Ts(O,z) are available. Inlet concentrations ci, in, and temperature Tin
coming from an
upstream unit may be constant or fluctuate in time

The equations contain partial derivatives with both time and length.
Three approaches are usually employed:1. Transformation of partial differential equations in algebraic equations
by using finite
differences. The most known approach is the 'method of lines'.
2. Use of special functions, as orthogonal polynomials in the class of
methods based on
'collocation', to approximate concentration and temperature profiles.
3. Replacement of PFR by a series of CSTR's.
Finite difference methods are implemented in gPROMS (2001). Aspen
Dynamics
uses the third approach. Care should be paid to a convenient description
of a PFR. A
number of ten CSTR's is sufficient, but when the temperature variation is
highly
gPROMS
model
builder.
used
to build,
nonlinear,
the useis
of aseveral
PFR
reactorsIt
in is
series
is recommended

validate , execute and deploy steady-state and

dynamic process models of any complexity.

Implementation of controllers
The majority of controllers in industry are based on Single Input Single
Output (SISO)
loops. The implementation of such controllers consists of a succession of
operations, as
follows:
Select the process variable (PV) that has to be controlled. This may be a
stream or
unit variable, usually pressure, temperature, concentration, mass or
volumetric flow
rates, as well as the liquid level. The variation can be expressed as a
percentage from
the range (PVmax - PVmin). Setpoint SP is the PV value that should be kept at
a desired
value. Usually the setpoint is positioned close to the midrange.
Define the controller output (OP) as the manipulated variable. This is
usually a
stream flow rate or heat duty. The steady state design supplies the
nominal value. The
maximum output may be taken as twice the nominal value. The minimum
output may

In the above relation OPss is the steady state value, or the bias of the
manipulated
variable, and is the error defined as difference between PV and set point.

Mode of action.
In direct action, when the process variable PV is above the setpoint
(negative error) the manipulated variable (OP) is increased (negative gain),
and vice versa. For instance, consider level control by outlet flow. When
the level rises above the setpoint the outlet flow must increases too.
In reverse action, when PV increases above SP (negative error), the
manipulated variable decreases. Here we may give as example the control
of purity by reflux. When the purity of the product increases above the
setpoint, the reflux flow rate must diminish.
Prepare the controller view and recorder settings.

Despite the progress in software technology in the last years, solving a

dynamic
simulation problem is not easy. A working procedure may be formalised
as below.
1. Problem Analysis
Define the process dynamics problem including plant wide control .
Carry out a degree of freedom analysis, both for design and control.
Decide about slow and fast dynamic units. Slow units need dynamic
models, while
steady state models can be applied in the second case.
Analyse the modelling of units with significant inventory.
Analyse the modelling of the chemical reactor and of key separation
2. units.
Steady state flow sheeting
Solve
Examine
wide
control
problems,problem
as the input
of reactants, the
theplant
steady
state
flow sheeting
.
manipulation
Size the units of
with whose dynamics is of significance.
Determine
the production
rate, of
and
the control
of waste andmeasures
impurities.
the effect
recycles
by controllability
. Develop

a plant
wide
control
structure
Modify
the design to
ensure
that the. manipulated variables are
effective for control.
Prepare the dynamic run.
3. Dynamic flow sheeting
Implement the basic control structures of units, primarily of levels and
pressures.
Develop of a plant wide control structure .
Implement and tune the controllers of units, usually of PID type.

4. Analysis of results
Study the plant performance in closed loop faced to different
disturbances.
Carry out dynamic controllability analysis if necessary .
Perform refinement of design and control, and finally optimisation.
An important issue in the above procedure is the degrees of freedom
analysis (DOF)
in dynamic simulation.

Evaluation of the performance of a heated brine spray system by dynamic

simulation
Computers and Chemical Engineering 41 (2012)
106 122

Multi-scale modelling strategy

followed, covering this work and the
previous from Moita et al. (2009,
2005).

To build the three-dimensional dynamic mathematical model of the heated

brine spray system two sub-models were developed:
one for a single drop and one for the spray system. The single drop
model, which is based on the ballistics theory and includes material and
energy balances, allows calculating the trajectory and velocity of the
drop once catapulted from a nozzle, as well as its temperature, salt
concentration, and volume during the flight.
The spray system model accounts for the effect of all the drop hits,
released
a single full-cone spray-nozzle, by considering a set of
Single
dropfrom
model
randomly defined drops.
The wind influences the drop trajectory and changes its velocity, which is
calculated through (Seginer, Nir, & von Bernuth, 1991):

To fully characterize the drop during its

flight once catapulted from the nozzle,
brine and salt material balances were
performed, by applying the law of mass
conservation,
accounting
for
water
evaporation and salt precipitation.

Kbrine is a characteristic brine spray constant that

is a corrected term for its respective water value
Kwater and a is a fixed value

Spray system model

Once determined the mathematical equations that describe the behaviour
of a single drop leaving the nozzle, the dynamic model of the whole spray
system is developed by considering a set of randomly defined drops
through statistical distributions for the drop diameters (d) and for the
initial angles of the exiting brine jet (, ).
Thus, the model accounts for all the drops leaving from the full-cone spraynozzle (Moita et al., 2009). For the diameters it was considered the Rosin
Rammler distribution, and its cumulative function is given by (Djamarani &
Clark, 1997; Kuo, 1986):

Two important variables, used to evaluate the spray system behaviour, are
the water evaporated and the mean spray temperature.
The total water evaporated by volume unit of entering brine (M evap,sp),
during the spraying time, is given by:
the sum of the
volumes of the brine
solution and of the
NaCl salt precipitated
in the drop, and it
relates to the drop

Simulation is done by gPROMS

Drop temperature variation during
its time flight for different drop
diameters
(d), with spray nozzle TF88 (Tsp
mean spray temperature; Twet-bulb
air wet bulb
temperature).