Applied Chemical Thermodynamics

Duration

26h Th, 26h Pr

Number of credits

Lecturer

Nathalie Job, Grégoire Léonard

Language(s) of instruction

French language

Organisation and examination

Teaching in the first semester, review in January

Schedule

Schedule online

Units courses prerequisite and corequisite

Prerequisite or corequisite units are presented within each program

Learning unit contents

Part I : Pure substances
The course reviews methods allowing to evaluate physical and thermodynamic properties of pure components. After a review 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 (corresponding states, group contributions), before presenting the main types of equations of state.
 
Part II: Mixtures
The second part of the course makes an overview of methods for evaluating the physical and thermodynamic properties of mixtures of different components (for instance, a water-alcohol mixture). First, variables necessary for characterizing such a mixture are recalled and defined: partial molar properties, chemical potentials, fugacities, activities, non-ideality coefficients, mixture and excess properties.
The description of multi-phasic equilibria is then presented on the basis of these properties. Liquid-vapor equilibria are explored in details, and liquid-liquid systems are also discussed. For the description of these mixtures, 2 main methods are presented: equations of state, and activity coefficient methods. The choice is done depending on the application, so examples will be given. The main families of equations of state are studied, and mixing rules are described to allow their use in the case of multi-components mixtures. The activity coefficient methods are also described in details, mentioning among others local contribution methods.
Finally, thermochemical variables characterizing reactions are presented and methods for their prediction are proposed. The evaluation of chemical equilibria will also be discussed.

Learning outcomes of the learning unit

Part I : Pure substances
Acquire 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 to assess the precision and reliability of these estimation methods.
 
Part II: Mixtures
The course aims at giving the ability to practically evaluate thermodynamic properties of chemical systems to enable their use in a process model.
At the end of this class, students will be able to identify the thermodynamic properties necessary to characterize a multi-component chemical system, to master the links between them and justify their use in process engineering. They will also be able to estimate their values from the literature, to propose solutions when facing incomplete data, and to choose the most appropriate methods among those offered in simulation software, depending on the applications. They will also be able to evaluate the accuracy and the reliability of these estimation methods.

Prerequisite knowledge and skills

Chemistry (CHIM9272-2 and CHIM9273-1) 
Elements of thermodynamics (CHIM0286-1)

Planned learning activities and teaching methods

The course will consist in lectures and practical classes in which students have to solve exercises with the support of the teacher. During the practical classes, the concepts explained during theoretical lessons will be illustrated, among others by manual calculation of a few properties using various estimation methods and by solving of typical problems (enthalpy balance on open systems with real fluids, determination of equilibrium conditions, azeotropic systems...).

Mode of delivery (face-to-face ; distance-learning)

2 hours/week lectures (theory), autumn session (face-to-face). 13 sessions.
2 hours/week practice, in parallel to theoretical lectures (2 hours/week). 13 sessions.

Recommended or required readings

Recommended reference books:

• Vidal, 1997. Thermodynamique, application au génie chimique et à l'industrie pétrolière. Editions Technip, IFP (in French, but an English edition is available: translation by Thomas S. Pheney and Eileen M. McHugh).
• C. De Hemptinne, J. M. Ledanois, P. Mougin, A. Barreau. Select Thermodynamic Models for Process Simulation, a Practical Guide using a Three Steps Methodology. Editions Technip, IFPEn.

Assessment methods and criteria

• Half a day of written examination including both pure components and mixtures
• No partial exemption is granted from one examination period to another

Work placement(s)

Organizational remarks

Teaching for the Pure components part: Nathalie Job
Teaching for the Mixtures part: Grégoire Léonard
Teaching for the practical classes: Marie-Noëlle Dumont

Contacts

Nathalie JOB, Department of Chemical Engineering, Institut de Chimie B6a Phone : 04 366 3537 ; Email : nathalie.job@ulg.ac.be
Grégoire LEONARD, Department of Chemical Engineering, Institut de Chimie B6a Phone : 04 366 3513 ; Email : g.leonard@ulg.ac.be(nathalie.job@ulg.ac.be )
Marie-Noëlle DUMONT, Department of Chemical Engineering, Institut de Chimie B6a Phone : 04 366 3523 ; Email : mn.dumont@ulg.ac.be(nathalie.job@ulg.ac.be)