Applied Chemical Thermodynamics

Duration

26h Th, 26h Pr

Number of credits

Lecturer

Marie-Noëlle Dumont, Nathalie Job, Grégoire Léonard

Language(s) of instruction

French language

Organisation and examination

Teaching in the second semester

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), spring 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
• The 4 parts that are evaluated (theory of pure components, theory of mixtures, exercises pure components, exercises mixtures) each account for 25% of the final grade. The class can only be passed if a minimal grade of 8/20 is achieved for each part.

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@uliege.be
Grégoire LEONARD, Department of Chemical Engineering, Institut de Chimie B6a Phone : 04 366 3513 ; Email : g.leonard@uliege.be
Marie-Noëlle DUMONT, Department of Chemical Engineering, Institut de Chimie B6a Phone : 04 366 3523 ; Email : mn.dumont@uliege.be

Adaptation of teaching commitments following the COVID-19 pandemic for the May-June 2020 session

Teaching methods implemented : distance-learning

Part I: Pure substances
The 5 first lectures have taken place in face-to-face. The associated lecture contents were thus communicated to the students as usual.
The last two lecture sessions concerning:
- correlations from the theorem of the equivalent states (lecture n°6);
- equations of state (lecture 7);
have been respectively documented as:
- a detailed written explanation of the various evaluation techniques (notably using Hougen-Watson or Lee-Kesler tables);
- an audio-commented version of the corresponding slideshow.
All documents were communicated to the students via e-Campus. Concerning the exercises related to the last two lecture sessions, the statements and corrections are also available.
  A detailed work calendar has been communicated to the stuents. Finally, the lecture contents and exercises is discussed with the teaching staff (N. Job and M.-N. Dumont) on appointment, via Skype, preferably on Mondays afternoon (during the normal lecture schedule). The teaching staff remains available for discussions until the end of the quadrimester (except on Monday April 13).
 
Part II: Mixtures:
The courses are no longer provided face-to-face, the material is to be seen by the students. To do this, the slideshows (powerpoints) of the lessons are transmitted weekly to the students, on the scheduled day of the lessons. The use of ppt rather than pdf allows students to access the comments at the bottom of the slides which have been revised and expanded to allow a complete understanding of the slides. The reference books were recommended again to the students. Finally, a syllabus is available for this course, allowing students to follow the course well. An ecampus forum has also been set up for questions from students.
The exercises and their resolutions are also sent to the students on the planned exercise days. Supervisors remain available until the end of the semester for question and answer sessions, primarily Monday afternoons (time slot initially scheduled for the course).

Assessment subjects

Part I: pure substances
The theory part does not change compared to the normal situation, except for Chapter 4 (which stops at slide 65). Calculation techniques to be mastered are the same as usual.
The exercise content remains identical (statements and solutions available on e-Campus)
 
Part II: Mixtures
Given the shortening of the quadrimester (loss of Monday, May 11, the Monday of the Easter recovery week is already scheduled to recover the Carnival Monday), the mixing part includes 5 theoretical lesson sessions instead of 6. Consequently, the last chapter of the course (thermodynamics of chemical reactions) which recalls the baccalaureate material and prepares for the tasks of the integrated project of master 1 (PROJ0012) is cancelled. It is currently planned that a catch-up session will be organized as part of the integrated project PROJ0012 in the fall of 2020 for the students who will follow this project. The rest of the material remains unchanged.

Assessment methods

Part I: pure substances
- the "exercise" part of the written examination is replaced by an individual homework in two parts, the first one due on April 12, the second on May 8 (after correction and feed-back concerning the first part). Detailed instructions have been sent to the students via e-Campus;
- theory mastering will be assessed via an oral examination (using i.e. Skype). The assessment will be based on the homework and will comprise questions related to the theory and a discussion of the understanding of the theoretical concepts necessary to the homework resolution.
Mark weighting:
- Homework: 25% of the final mark
- oral examination: 25 % of the final mark
 
Part II: Mixtures
- The theory exam will be organized in individual oral examination (distance examination). The assessment will include comprehension questions requiring discussion of the theory seen in class.
- the exercise examination will consist of the resolution of one or more individualized exercises. This exam will take place for each student during the exam session. Each student will have one day allotted (among the days when the oral examination will be organized) to do the exercise and send the correction by email to the address g.leonard@uliege.be.
 

Contacts

Part I: Pure substances
Nathalie Job (Nathalie.Job@uliege.be)
Marie-Noëlle Dumont (MN.Dumont@uliege.be)
 
Part II: mixtures
Grégoire Léonard (g.leonard@uliege.be)
Marie-Noëlle Dumont (MN.Dumont@uliege.be)

Adaptation of teaching commitments following the COVID-19 pandemic for the Aug-Sept 2020 session

Assessment subjects

No changes vs. June examination

Assessment methods

Part I: Pure components
No changes vs. June examination
The written assessment and the deadline for sending the homework will be communicated to the students before July 15th.
 
Part II: Mixture
No changes vs. June examination

Contacts

Part I :Pure components
Nathalie Job (Nathalie.Job@uliege.be)
Marie-Noëlle Dumont (MN.Dumont@uliege.be)
 
Part II: Mixtures
Grégoire Léonard (g.leonard@uliege.be)
Marie-Noëlle Dumont (MN.Dumont@uliege.be)