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| CHIM0009-1 | Applied chemical thermodynamics
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| Duration : | 30h Th, 30h Pr |
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| Credits/ECTS : |
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| Holder(s) : | Georges Heyen |
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| Language : | French language |
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| Course contents : | The course reviews methods allowing to evaluate physical and thermodynamical properties of pure components and mixtures.
After a revision of thermodynamic functions and their evaluation for the ideal gas, PVT relationships (equations of state) are introduced, which leads to the concept of residual functions.
Major predictive methods for thermodynamic properties of pure components are addressed (coresponding states, group contributions), before presenting the main types of equations of state.
Mixtures are characterised next (partial molar properties, activity, fugacity, excess properties). Major techniques allowing to describe liquid phase non-idealities are examined.Phase equilibria are studied, with special emphasis on the calculation of vapor-liquid and liquid-liquid equilibria.
To conclude, we describe thermochemical properties involved in chemical reactions, and discuss the calculation of chemical equilibria. |
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| Course objective : | Aquire skills allowing to evaluate in practice all thermodynamic properties based on available data, even in case some information is missing and should be estimated.
A second goal of the course is to acquire knowledge to select the most appropriate methods among the array available in modern computer aided thermodynamic data systems, and o assess the precision and reliability of these estimation methods. |
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| Prerequisites : | Basic notions in thermodynamics |
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| Workshops : | The goal of practical applications is to illustrate the concept explained in the class room.
This is achieved by manual calculation of a few properties using various estimation methods.
Software allowing to predict pure component properties from the molecular structure are also used.
One personal application involves retrieving properties in several data bases.
Parameters are fittedin several vapor-liquid equilibriummodels to reproduce experimental data, and to calculate phase diagrams (bubble and dew curves) |
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| Organization : | 2 hours/week lectures (theory)
Numerical applications 2 hours/week |
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| Written notes : | Recommended reference book : J. Vidal, Thermodynamique (editions Technip 1997) (in french, but an English edition is now available)
Copies of presentation materials (slides)
Spreadsheets illustrating some concepts and computer programs are available for class room usage.
All teaching and practice material is available on the departmental Intranet or WebCT portal. |
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| Assessment : | Two personal home works : reports are evaluated
Written examination : open book application
Oral examination in June |
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| Contacts : | Georges Heyen
Institut de Chimie B6, room R68
Phone : 04 366 3521
FAX : 04 366 3525
Email : G.Heyen@ulg.ac.be |
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| Remarks : | see also :
http://www.lassc.ulg.ac.be/webCheng00/chim007/index.htm |
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