Undergraduate Course: Chemical Engineering Thermodynamics 3 (CHEE09011)
Course Outline
School  School of Engineering 
College  College of Science and Engineering 
Credit level (Normal year taken)  SCQF Level 9 (Year 3 Undergraduate) 
Availability  Available to all students 
SCQF Credits  10 
ECTS Credits  5 
Summary  Thermodynamics covers the concepts of Gibbs Free Energy and chemical potential and their relationship to both phase equilibrium and chemical reaction equilibrium in heterogeneous systems and multiple simultaneous reactions.
Mixing rules for Equations of State (EoS) are introduced as well as calculation of vapour pressure from EoS. 
Course description 
This course comprises 20 hours of lectures and assessed by written examination.
Lectures
The course is delivered in two hour lectures.
Lecture 1
Statement of the VLE problem. The Gibbs phase rule. Definition of the Chemical Potential  m. Extensive vs intensive thermodynamic properties. Euler's theorem of homogeneous functions. Partial molar quantities. .
Lecture 2
ClausiusClapeyron equation. VL curve. VS curve. LS curve. Interpolation of vapour pressure data. Prediction of vapour and sublimation pressures from CC equation. Chemical potential of a mixture. Fugacity and fugacity coefficients. Composition dependence of the chemical potential. Ideal mixtures. Activity and activity coefficients.
Lecture 3
Fugacity of a component in a liquid mixture. Pressure dependence of the chemical potential. Poynting correction factor. Fundamental VLE equation: gf and ff approach. Simplified versions of the gf approach. Vapour pressure equations. Excess Gibbs energy and activity coefficients. T vs x,y and P vs x,y diagrams  positive and negative deviations.
Lecture 4
Dew point and bubble point calculation. Calculation of binary T vs x,y, P vs x,y and y vs x plots. Example VLE with azeotrope. Isothermal flash calculation. Example of a binary flash. GibbsDuhem equation. Thermodynamic consistency of VLE data. Partial pressures from total pressure data. Example of ethanolwater isothermal data. Gasliquid equilibrium. Relationship between symmetric and asymmetric activity coefficients. Liquidliquid equilibrium. Solidliquid equilibrium.
Lecture 5
Sources of thermodynamic data. Two and three parameter law of corresponding states. Prediction of critical constants and acentric factor: Joback and Ambrose methods. Prediction of vapour pressure.
Lecture 6
Equations of State (EOS). Cubic equations of state (EOS). Parameters from critical constants. Helmholtz free energy (A). Calculation of vapour pressures from EOS. Residual functions and thermodynamic properties from A. Lee and Kesler EOS and tables. Example of LK and SRK.
Lecture 7
Mixing rules for EOS. MichelsenKistenmacher syndrome. Fugacity coefficients from EOS. Advanced mixing rules for cubic EOS. Properties of EOS at infinite pressure. Sample calculation of VLE using EOS.
Lecture 8
Thermodynamic models in Aspen/UniSim. Things to watch for in using computer codes Styreneethylbenzene example. Thermoworkbench examples. GCEOS.
Lecture 9
Chemical reaction equilibria. Extent of reaction. Heat of reaction. Equilibrium constant and its temperature dependence. Reference states in common applications. Multiple chemical reactions  reactors in series and Lagrange multipliers.
Lecture 10
Review and open discussion.
Tutorials
Each lecture has a corresponding tutorial plus one tutorial on Unisim.

Entry Requirements (not applicable to Visiting Students)
Prerequisites 
Students MUST have passed:
Thermodynamics (Chemical) 2 (CHEE08009)

Corequisites  
Prohibited Combinations  
Other requirements  None 
Information for Visiting Students
Prerequisites  None 
High Demand Course? 
Yes 
Course Delivery Information
Not being delivered 
Learning Outcomes
On completion of this course, the student will be able to:
 Students should be able to:
  Apply the phase rule to determine degrees of freedom and show how these may be satisfied.
  Describe the significance of Chemical Potential in mixtures and understand phase equilibria formulations.
  Ability to solve vapour liquid equilibrium of non ideal mixtures.
  Understanding of simultaneous reactions at equilibrium.

Reading List
1. Smith J.M., Van Ness H.C. & Abbott M.M., Introduction to Chem. Eng. Thermodynamics, McGrawHill. 5th Ed., 1996.
2. Prausnitz J.M., Lichtenthaler R.N. & de Azevedo E.G., Molecular Thermodynamics of FluidPhase Equilibria, 3rd Ed., 1999. PrenticeHall.
3. Poling B., Prausnitz J.M. & O'Connell J.P., The Properties of Gases and Liquids, 5th Ed., 2000. McGrawHill.
4. Perry R.H. and Green D.W., Perry's Chemical Engineers' Handbook. 7th Ed., 1997. McGrawHill.

Additional Information
Graduate Attributes and Skills 
Not entered 
Keywords  Not entered 
Contacts
Course organiser  Prof Stefano Brandani
Tel:
Email: S.Brandani@ed.ac.uk 
Course secretary  Mrs Lynn Hughieson
Tel: (0131 6)50 5687
Email: Lynn.Hughieson@ed.ac.uk 

