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DRPS : Course Catalogue : School of Engineering : Chemical

Undergraduate Course: Chemical Engineering Thermodynamics 3 (CHEE09011)

Course Outline
SchoolSchool of Engineering CollegeCollege of Science and Engineering
Credit level (Normal year taken)SCQF Level 9 (Year 3 Undergraduate) AvailabilityAvailable to all students
SCQF Credits10 ECTS Credits5
SummaryThermodynamics 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.


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
Clausius-Clapeyron equation. V-L curve. V-S curve. L-S curve. Interpolation of vapour pressure data. Prediction of vapour and sublimation pressures from C-C 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: g-f and f-f approach. Simplified versions of the g-f 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. Gibbs-Duhem equation. Thermodynamic consistency of VLE data. Partial pressures from total pressure data. Example of ethanol-water isothermal data. Gas-liquid equilibrium. Relationship between symmetric and a-symmetric activity coefficients. Liquid-liquid equilibrium. Solid-liquid 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 L-K and SRK.

Lecture 7
Mixing rules for EOS. Michelsen-Kistenmacher 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 Styrene-ethylbenzene 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.


Each lecture has a corresponding tutorial plus one tutorial on Unisim.
Entry Requirements (not applicable to Visiting Students)
Pre-requisites Students MUST have passed: Thermodynamics (Chemical) 2 (CHEE08009)
Prohibited Combinations Other requirements None
Information for Visiting Students
High Demand Course? Yes
Course Delivery Information
Academic year 2016/17, Available to all students (SV1) Quota:  None
Course Start Semester 1
Timetable Timetable
Learning and Teaching activities (Further Info) Total Hours: 100 ( Lecture Hours 20, Summative Assessment Hours 1, Programme Level Learning and Teaching Hours 2, Directed Learning and Independent Learning Hours 77 )
Assessment (Further Info) Written Exam 100 %, Coursework 0 %, Practical Exam 0 %
Additional Information (Assessment) One 2 hour degree examination in December
One 2 hour degree resit examination in August
Feedback Not entered
Exam Information
Exam Diet Paper Name Hours & Minutes
Main Exam Diet S1 (December)2:00
Resit Exam Diet (August)2:00
Learning Outcomes
On completion of this course, the student will be able to:
  1. Students should be able to:
  2. - Apply the phase rule to determine degrees of freedom and show how these may be satisfied.
  3. - Describe the significance of Chemical Potential in mixtures and understand phase equilibria formulations.
  4. - Ability to solve vapour liquid equilibrium of non ideal mixtures.
  5. - Understanding of simultaneous reactions at equilibrium.
Reading List
1. Smith J.M., Van Ness H.C. & Abbott M.M., Introduction to Chem. Eng. Thermodynamics, McGraw-Hill. 5th Ed., 1996.

2. Prausnitz J.M., Lichtenthaler R.N. & de Azevedo E.G., Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd Ed., 1999. Prentice-Hall.

3. Poling B., Prausnitz J.M. & O'Connell J.P., The Properties of Gases and Liquids, 5th Ed., 2000. McGraw-Hill.

4. Perry R.H. and Green D.W., Perry's Chemical Engineers' Handbook. 7th Ed., 1997. McGraw-Hill.
Additional Information
Graduate Attributes and Skills Not entered
KeywordsNot entered
Course organiserProf Stefano Brandani
Course secretaryMrs Lynn Hughieson
Tel: (0131 6)50 5687
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