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CHEM3010 Tutorial#2

1 Describe the general characteristics of a system. What is important to consider

in engineering systems? (S

A process system is then a system in which physical and chemical processes are
taking place.
The system to be modeled could be seen as the whole process plant, its environment,
part of the plant, an operating unit or an item of equipment.
Hence, to define our system we need to specify its boundaries, its inputs and
outputs and the physicochemical processes taking place within the system.

2 Describe typical modeling goals for a range of process engineering applications.

Dynamic simulation
With the process model developed to represent changes in time, it is possible to
predict the outputs o given all inputs /, the model structure M and parameters p.
Static or steady-state simulation
The simulation problem computes the output values o given specific inputs i , a model
structure M and its parameters p. This is sometimes known as a "rating" problem.
Design problem
Calculating the values of certain parameters p from the set of parameters p, given
known inputs i and desired outputs o and a fixed structure M. It is also called a
"specification" problem.
Process control
 design an input for which the system responds in a prescribed way, which gives a
regulation or state driving control problem'.
 find the structure of the model M with its parameters p using the input and output
data, thus giving a system identification problem;
 find the internal states in M given a structure for the model, thus giving a state
estimation problem which is typically solved using a form of least squares solution;
 find faulty modes and/or system parameters which correspond to measured input
and output data, leading to fault detection and diagnosis problems.

3 Discuss why modeling assumptions are important in the building of a model. (

We use modeling assumptions to describe the specific knowledge we have about the
process system.
This knowledge can help simplify and eliminate what we consider to be unnecessary
aspects of the model's description.
Because of the less complex nature of the model, the number of variables will be
much smaller in dimension than the dimension of the real system
CHEM3010 Tutorial#2

4 What is the difference between white, black- and grey-box models? (Section
Use of process engineering knowledge to describe the physico-chemical processes
taking place in the system on the level required by the modeling goal.
This is a "first principles" engineering model.
Such a model is termed a white-box model (mechanistic) to indicate that the model is
totally transparent or understandable to a process engineer.
In this case, we do not directly use any measured data about the process.
However, we do make use of measured data indirectly, through the form and the value
of the system parameters.

A alternative means of obtaining process models is often dictated by a lack of

accumulated engineering knowledge of the system.
In this case, we can use measurement data of the inputs and outputs to build a process
model. The need to stimulate or excite the system to obtain useful information for
model identification is a major issue for any model builder. This includes the amount
of data and its frequency content which enables the key responses to be captured in
the resulting model. In this case, we can use structure and parameter estimation
methods developed mainly in the field of process identification. This kind of model is
called a black-box model (empirical) because knowledge of the process is only
available through the measurement data and not from the underlying mechanisms.

5 Outline the systematic approach to model building discussed in this chapter. What are
the key steps and their characteristics? (
i Defining the problem
ii Identifying control factors
iii Evaluating the data
iv Construct the model
v Solve the model
vi Verify the model
vii Solve the model
6 What are some controlling factors or mechanisms which might be considered in a
process modeling task?
The most important and common controlling factors include:
• chemical reaction
• diffusion of mass
• conduction of heat
• forced convection heat transfer
• free convection heat transfer
• radiation heat transfer
• evaporation
• turbulent mixing
• heat or mass transfer through a boundary layer
• fluid flow
CHEM3010 Tutorial#2

7 In defining the modeling problem, what basic decisions need to be made before any
mathematical modeling starts?
• inputs and outputs
• hierarchy level relevant to the model or hierarchy levels of the model in the case of
hierarchical models
• the type of spatial distribution (distributed or lumped model)
• the necessary range and accuracy of the model and
• the time characteristics (static versus dynamic) of the process model
8 In developing the mathematical form of the model, what are the key equation sub-
classes to be considered?
System and subsystem boundary and balance volume definitions
Set of balance volumes for mass, energy and momentum such as total system mass,
component masses or energy.

Define the characterizing variables

Define the variables associated with the inputs, outputs and internal states of the
system which will characterize the system being studied.

Establish the balance equations

Set up conservation balances for mass, energy and momentum for each balance

Transfer rate specifications

The rate expressions for transfer of heat, mass and momentum between different
balance volumes in the conservation balances are specified here, usually as functions
of intensive quantities, such as concentrations and temperature.

Property relation specifications

These are mostly algebraic relationships expressing thermodynamic knowledge such
as equations of state and the dependence of physico-chemical properties on
thermodynamic state variables such as pressure, temperature and composition.

Balance volume relation specifications

A balance volume relation describes the relationship between balance volumes and
physical volumes.

Equipment and control constraint specifications

There is inevitably the need to define constraints on process systems. These are
typically in the form of equipment operating constraints (for the pressures,
temperatures etc.) and in terms of control constraints, which define relations between
manipulated and controlled variables in the system.

Modelling assumptions
When developing a particular model we apply modeling assumptions to get our model
equations which form an integral part of the resultant model.
CHEM3010 Tutorial#2

9 What techniques will help in model verification? (

 Implement model equations using structured programming principles.
 Check code for correct execution.
 Check output trends against expected trends for reactor given step changes in feed
 Also, check predicted steady-state values after a feed disturbance.

10 Discuss some general approaches to model validation.

 Provide measured data from pilot plant or real process.
 Analyze plant data quality.
 Carry out validation of predicted outputs from step test of system using least
squares estimation of error.
 Apply hypothesis testing to validate model based on least squares estimates
 Refine model as required by performance criteria.

11 List the five necessary ingredients that go to make up a full model of a process system
 Assumptions
 Model equations and characterizing variables
 Initial conditions
 Boundary conditions
 Parametrs

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