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Dynamic Modelling

This document discusses mathematical modeling of chemical processes. It explains that models are abstractions used to approximate real systems and processes, and involve balancing accuracy and complexity. Dynamic process models consist of ordinary and partial differential equations describing conservation of mass, components, and energy. The importance of models is that they allow predicting and understanding system behavior while reducing experimentation costs. Theoretical, empirical, and semi-empirical models are described. Examples of modeled processes include mixing, storage tanks, and reactors. Degree of freedom analysis determines if a model is exactly specified, underspecified, or overspecified.

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15 views

Dynamic Modelling

This document discusses mathematical modeling of chemical processes. It explains that models are abstractions used to approximate real systems and processes, and involve balancing accuracy and complexity. Dynamic process models consist of ordinary and partial differential equations describing conservation of mass, components, and energy. The importance of models is that they allow predicting and understanding system behavior while reducing experimentation costs. Theoretical, empirical, and semi-empirical models are described. Examples of modeled processes include mixing, storage tanks, and reactors. Degree of freedom analysis determines if a model is exactly specified, underspecified, or overspecified.

Uploaded by

gabbyazanto
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Mathematical Modeling of

Chapter 2

Chemical Processes
Introduction
• A model is an abstraction (concept or idea) of real
systems and processes.
• The model equations are at best an approximation
to the real process.
• Modeling inherently involves a compromise
between model accuracy and complexity on one
hand, and the cost and effort required to develop
the model, on the other hand.
Introduction

• Process modeling is both an art and a science.


Creativity is required to make simplifying
assumptions that result in an appropriate model.
• Dynamic models of chemical processes consist of
ordinary differential equations (ODE) and/or
partial differential equations (PDE), plus related
algebraic equations.
Importance of Mathematical Models
• Affords the opportunity to predict the
behaviour of a system or a phenomenon.

• Helps in understanding a system or a


phenomenon with physical observation.

• Reduces the cost of experimentation in


research and development laboratories.
Importance of Mathematical Models
• Develop a control strategy for a new process.

• Helps in determining the potential of a


system before a prototype is built.

• Train plant operating personnel.

• Optimize process operating conditions.


Types of Models
• Theoretical models: principles of chemistry,
physics and biology are employed in their
development.
• Empirical models: developed from fitting data
from experiments.
• Semi-empirical empirical models:
Combination of the above however, certain
numerical values of some parameters are
obtained from experiments.
Which control volume and which
balance?
Conservation Laws
Theoretical models of chemical processes are based on
conservation laws.

Conservation of Mass
 rate of mass  rate of mass  rate of mass 
Chapter 2

 = −  (2-6)


accumulation   in   out 
Conservation Laws
Conservation of Component i

rate of component i  rate of component i 


 = 
 accumulation   in 
Chapter 2

rate of component i  rate of component i 


− +  (2-7)
 out   produced 
Conservation of Energy
The general law of energy conservation is also called the First
Law of Thermodynamics. It can be expressed as:
rate of energy  rate of energy in  rate of energy out 
 = − 
 accumulation   by convection   by convection 

net rate of heat addition   net rate of work 


Chapter 2

   
+  to the system from  + performed on the system  (2-8)
 the surroundings   by the surroundings 
   

The total energy of a thermodynamic system, U=Utot, is the sum of its internal
energy, kinetic energy, and potential energy: U = U + U + U (2-9)
tot int KE PE
Examples
• Mixing
• Storage tanks
• Stirred tank heating processes
• Continuous stirred tank reactors
Degree of Freedom Analysis
Conditions for DF analysis
• NF = 0: The process model is exactly
specified and has a solution (non-linear
equations may lack a unique solution). The
desired case
• NF > 0: The process is underspecified, then
a number of input variables must be
assigned a numerical values.
• NF < 0 : The model is overspecified. Then
additional independent model equations
must be developed for the model to have an
exact solution.

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