## Topic outline

• ### General  Synopsis : This course introduces chemical engineering thermodynamic theory and applications in the areas of volumetric properties of fluids, heat effects, thermodynamic properties of fluids, thermodynamics of solutions, and physical and chemical equilibria. This work, SKF2213 Chemical Engineering Thermodynamics by MOHAMMAD FADIL ABDUL WAHAB is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported License
• ### Topic 1

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

• 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.

• ### Topic 2

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.

• ### Topic 3

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.
• ### Topic 4

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

• ### Topic 5

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

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.

• ### Topic 6

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.

• ### Topic 7

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.