#### Volumetric Properties of Pure Fluids

Introduction to Chemical Engineering Thermodynamic

Volumetric Properties of Pure Fluids
• Introduction to volumetric properties
• PVT behaviour of pure substances
• Volumetric properties from equations of state :
o Ideal gas equation
o Virial equation
o Generic cubic equations
• Volumetric properties from generalized correlations :
o Gases
o Liquid
• Volumetric properties from thermodynamic Tables and Diagrams

It is expected that students will have the ability to :
· Determine the state/phase of a given fluid at given conditions.
· Compare and contrast the various equations of state and generalized correlations.
· Identify the applicability and limitation of every equation of state.
· Determine the volumetric properties from thermodynamic tables and diagrams.

#### Heat Effects

Heat Effects

· Introduction to different types of heat effects in thermodynamics
· Sensible heat and heat capacity
o Constant-volume heat capacity
o Constant-pressure heat capacity
o The temperature dependency of the heat capacity
· Latent heat
o Introduction to different types of latent heat
o Latent heat calculations and estimations.
· Standard heat of reaction
o Calculation using standard heat of formations
· Example of Heat effects of industrial reactions

It is expected that students will have the ability to:

· Differentiate the different types of heat effects and their importance in chemical engineering.
· Calculate the enthalpy change for ideal fluids at any given conditions
· Construct the hypothetical path for enthalpy change calculations.
· Calculate the heat transfer to/from the system that involves in the physical or chemical processes.
· Apply the enthalpy calculation in the energy balance for open and closed systems.

#### Thermodynamic Properties for Fluids

Thermodynamic Properties of Fluids

• Introduction to thermodynamic properties
• Fundamental property relations for homogeneous phases
• Residual properties
◦ Equation of state
◦ Generalized correlation
◦ Table and Diagram of Thermodynamic Properties
• Heterogeneous phase (Two phases system)
• Thermodynamic properties from thermodynamic tables and diagrams.

It is expected that students will have the ability to:

· Derive and apply the relation of the canonical parameters (e.g. T and P) and thermodynamic properties (e.g. H, U, S, and G).
· Estimate the entropy and enthalpy for the real fluid using residual properties.
• Calculate the thermodynamic properties of the system at any specified conditions.

#### Solution Thermodynamics : Theory and Derivation

Solution Thermodynamics : Theory

• Introduction to solution thermodynamics
• The chemical potential and phase equilibria
• Pure, partial, and solution properties
◦ Ideal gas mixtures
◦ Ideal solution and Lewis Randall rule
• Fugacity and Fugacity Coefficient
Pure species
◦ Solution fugacity and fugacity coefficient
◦ Fugacity coefficient and residual- property relation
◦ Fugacity coefficient from virial equation of states
◦ Generalized correlation for the fugacity coefficient
• Excess Properties
◦ Fundamental excess-property relation
◦ The excess Gibbs energy and activity coefficient
◦ The nature of excess property

It is expected that students will have the ability to :

· Define and describe the important of the thermodynamic terms such as partial and residual properties, fugacity and fugacity coefficient in chemical engineering.
· Differentiate the difference between pure, partial, and solution properties.
· Estimate the fugacity and fugacity coefficient for given pure (ideal or real), and
mixture species at specified conditions and approaches.

#### Solution Thermodynamics : Models for Y, and The Gamma / Phi Formulation Property Change of Mixing

Solution Thermodynamics : Application

• Liquid Phase Properties from VLE data
o Fugacity and fugacity coefficient
o Activity and activity coefficient
o Excess Gibbs energy and activity coefficient
o Models for excess Gibbs energy
• The Gamma/Phi Formulation of VLE
• Property changes of mixing
• Heat effects of mixing processes
o Heat of solution
o Enthalpy/concentration Diagram

It is expected that students will have the ability to :
• Define the terms of fugacity and fugacity coefficient, activity, and activity coefficient.
• Analyze experimental VLE data for getting a simple model of excess Gibbs energy.
• Identify at which the fluid can be assumed as an ideal or non-ideal solution.
• Derive and calculate the activity coefficient from experimental data and model excess Gibbs energy.
• Evaluate the property changes due to mixing of given system and conditions.
• Calculate the heat requirement for given process and conditions.

#### Vapour / Liquid Equilibrium : Introduction and Application

Physical Equilibria

• Introduction to equilibrium systems
• The equilibrium criteria and stability
• The phase rule – Duhem’s theorem
• Introduction to vapor/liquid Equilibria (VLE)
• VLE Behaviour and models
• VLE for low to moderate pressure system
◦ Raoult’s Law -Ideal gas and ideal solution (simple model)
◦ Modified Raoult’s Law
◦ Henry’s Law
• VLE for high pressure system
◦ VLE from equation of state.
◦ K-Value correlation
• Flash calculation.

It is expected that students will have the ability to :
• Describe the behaviour of VLE and how to simplify the VLE problem.
• Derive and simplify equations of VLE.
• Apply simplified VLE equations to obtain data for P-XY, T-XY and X-Y diagrams.
• Apply Raoult’s law and Henry’s law to solve simple thermodynamic problems.
• Carry out bubble and dew point calculations for a given mixture
• Carry out flash calculation in order to determine the vapor/liquid fraction as well as the mixture composition of each phase at specified conditions using available K-Values etc.

#### Chemical Reaction Equilibrium

Chemical Reaction Equilibria

• Introduction to chemical equilibria
• The reaction coordinate
• Application of equilibrium criteria to chemical reactions
• The standard Gibbs-energy change and the equilibrium constant
• Effect of temperature on the Equilibrium constant
• Evaluation of equilibrium constants
• Relation of equilibrium constants to composition
◦ Single reaction
◦ Multiple reactions
• Phase rule and Duhem’s theorem for reacting system

It is expected that students have the ability to :

• Describe the chemical reaction equilibria and it’s important in chemical engineering.
• Derive excess Gibbs energy equation to evaluate equilibrium constant (K) for a given reaction and conditions.
• Evaluate the equilibrium constant from diagram or Excess Gibbs energy for given reaction and conditions
• Apply the equilibrium constant to determine equilibrium conversion and to calculate reaction mixture equilibrium compositions.
• Solve the mass balance around the reactor at the equilibrium state.