Process Modelling

& Simulation

ASSIGNMENT

Subject: Process Modeling & Simulation

Department: Chemical & Polymer Engineering

(8th semester)

Reg# 2016-CH-434

Submitted by: Arslan Maqbool

Submitted to: Dr. Azam Saeed

University of Engineering and Technology, Lahore

(Faisalabad Campus)

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Types of Physical Properties

 Thermodynamic Properties
 Transport Properties
 Kinetic Properties
1) Thermodynamic Properties
A quantity which is either an attribute of an entire system or is a function of
position which is continuous and does not vary rapidly over microscopic
distances, except possibly for abrupt changes at boundaries between phases of
the system; examples are temperature, pressure, volume, concentration, surface
tension, and viscosity. Also known as macroscopic property.
(i) Extensive Properties
An extensive property is dependent upon the amount of mass present or upon
the size or extent of a system. For example, the following properties are
extensive:
a) Enthalpy
b) Entropy
c) Gibbs Free Energy
d) Heat Capacity
e) Internal Energy
f) Mass
g) Volume

(ii) Intensive Properties

An intensive property is independent of the amount of mass and may vary from
place to place within the system at any moment.

a) Compressibility
b) Density
c) Specific Enthalpy
d) Specific Entropy
e) Specific Heat Capacity
f) Pressure
g) Temperature

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2) Transport Properties
Properties of a compound or material associated with mass or heat transport.
Transport properties of matter express the way a current of a certain quantity is
created by an imposed gradient of another conjugate quantity. For example, a
gradient of temperature causes an entropy current which is perceived as a flow of
heat.
The analysis of any transport property always follows the same pattern:  Assume
a given gradient and deduce the current thus produced. The scale of observation
makes the number of microscopic components large enough for statistical physics
to be relevant.

1) Viscosity
2) Brownian motion
3) Diffusivity
4) Boltzmann transport equation
5) Thermal conductivity
6) Speed of sound

Thermodynamic properties are macroscopic properties where transport

properties are microscopic

3) Kinetic Properties

Kinetic properties do not deals with state functions, so it can not be used to
describe the overall properties, behavior, and equilibrium composition of a
system. It is concerned with the particular pathway by which physical or chemical
changes occur, however, so it can address the rate at which a particular process
will occur.

Although thermodynamics provides a significant constraint on what can occur

during a reaction process, it does not describe the detailed steps of what actually
occurs on an atomic or a molecular level.
In this case Critical properties are:
I. Rate equation
II. Activation energies
III. Reaction mechanism
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Kinetic vs Thermodynamic
Kinetics and thermodynamics are related to each other in ways that can be
explained by using chemical reactions. A discussion of kinetics and
thermodynamics requires an explanation of the underlying relationships between
the two, through application to chemical reactions and several examples from
natural processes.

It is important to mention that a chemical reaction has kinetic and

thermodynamic aspects. The quantity related to kinetics is the rate constant k;
this constant is associated with the activation energy required for the reaction to
proceed, that is, the reactivity of the reactants.
The thermodynamic quantity is the energy difference resulting from the free
energy (ΔG) given off during a chemical reaction—the stability of the products
relative to the reactants. Although kinetics describes the rates of reactions and
how fast equilibrium is reached, it gives no information about conditions once the
reaction equilibrates.

In the same measure, thermodynamics only gives information regarding the

equilibrium conditions of products after the reaction takes place, but does not
explain the rate of reaction.

Difference b/w thermodynamic and kinetic properties:

Thermodynamic Property Kinetic Property

Macroscopic property
Thermodynamics is related to stability.
The reaction will be spontaneous,
thermodynamically favorable. This is
because the energy is given-off, not
consumed by the reaction.
A catalyst or enzyme will still be
beneficial in a thermodynamically-
favorable reaction because it will
simply accelerate it.
Microscopic property
 Kinetics is related to reactivity.
The energy of motion is related to
kinetics, which determines how fast
the reaction will reach equilibrium,
related to thermodynamics.
The rate constant k is related to
equilibrium in that it tells us about
how fast the reaction reaches
equilibrium. If heat is added to a
reaction, its rate will increase due to

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increased kinetic energy.