Duration
26h Th, 26h Pr
Number of credits
| Bachelor of Science (BSc) in Engineering | 5 crédits | |||
| Master of Science (MSc) in Chemical and Materials Engineering | 5 crédits | |||
| Master of Science in Energy Engineering | 5 crédits |
Lecturer
Language(s) of instruction
French language
Organisation and examination
Teaching in the second semester
Schedule
Units courses prerequisite and corequisite
Prerequisite or corequisite units are presented within each program
Learning unit contents
This course is worth 5 ECTS. Recall 1 ECTS represents approximately 30 hours of "student" work. The face-to-face courses represent a total of 52 hours. So, you have just under 100 hours of work to provide.
This course is given for 3rd BAC engineering stuents, options chemistry and electromechanics as well as for BLOC0 students for the master in Chemical Engineering and Materials Sciences.
The course consists in 13 sessions given in Q2, on Monday afternoon (13:30-15:30 theoretical courses; 15h45- 17h45: practical courses). This information is indicative, for the up-to-date schedule, please always check the online timetable using Celcat (myuliege).
The online space associated with the CHIM0009 course is hosted on the eCampus platform that you access with your ULiege account.
You can ask your questions during class hours as well as on the forum available on ecampus. We strongly encourage you to use the forum as it allows all students to benefit from the answers provided. We promise to answer you within 3 days. You can also make an individual appointment by sending an email to the relevant professor.
Course Description
As a chemical engineer or electromechanical engineer, you may be required to model processes, whether they be thermal power plants, heat pumps, or any process in the chemical industry or energy production. The first step in this modeling is to represent the behavior of the fluids circulating there. It is important to correctly predict a change in enthalpy when sizing a heat exchanger or a phase change temperature for a flash flask or a distilling column. This representation can only be correct if you choose the right thermodynamic model from the wide range available on the different calculation software.
This course will help you to choose well these models whether for molecules known as for molecules still little known. At the end of this course, you will also be able to estimate the missing thermodynamic quantities.
Contents
The course is divided into two main parts:
- The pure components
- The mixtures
This first part of the course reviews the methods for the evaluation of the physical and thermodynamic properties of pure components. After a review of the thermodynamic functions and their evaluation for the perfect gas, we highlight the PVT relations (pressure, volume, temperature) (state equations) and the concepts of residual quantities. The main methods of prediction of thermodynamic properties of pure components are examined (corresponding states, group contributions), before presenting the main families of state equations.
Chapter 1: Principles
- Definitions
- First principle - closed system
- First principle - open system
- Second principle
- Free energy and free enthalpy
- Thermodynamic functions
- Perfect Gas
- P-V-T relationship
- Vapor pressure
- Enthalpy diagram
- Calculation of thermodynamic properties
- Introduction
- Molecular simulation techniques
- Corresponding States Law
- Correlation's properties - structure
- Example of relations between thermodynamic properties
- Introduction
- State equations derived from Viriel development
- State equations derived from the theory of Van der Waals
- Specific equations for certain pure components
It is important to start with pure components to understand the methodology from simple cases. In addition, many applications of real life, especially in energy systems (thermodynamic cycles in general, for example, heat pumps, refrigeration cycles, Rankine cycles...), still involve pure components.
Part II: Mixtures
The second part of the course reviews the methods for assessing the physical and thermodynamic properties of mixtures of different components(for example, a water-alcohol mixture). First, the quantities necessary for the characterization of such a mixture are recalled and specified: partial molar quantities, chemical potentials, fugacity, activities, coefficients of non-ideality, quantities of mixture, and excess.
The description of the multiphase balances of mixtures is then presented based on these quantities. Liquid-vapor equilibria are explored in detail, and liquid-liquid systems are also discussed. For the description of such equilibria applied to mixtures, two main methods are presented: state equations, and activity coefficient methods. Since the choice of method depends on the application, examples will be given. The main families of state equations are examined, and the mixtures rules are described to allow their use in the case of multi-compound systems. The methods with activity coefficients are also examined in detail, mentioning among other things the methods with local compositions.
Finally, the thermochemical quantities characterizing the reactions are presented and methods for their prediction are proposed. The evaluation of chemical balances is also discussed.
Chapter 0 Introduction
Chapter 1 Characterization and modeling of fluid mixtures
- Introduction
- Partial molar dimensions
- Chemical potential
- Activity
- Mixtures sizes
- Quantities of excess
- Activity coefficients
- Calculation methods
- Reference States
- Introduction
- Liquid-vapor equilibria
- Ternary mixture
- Azeotropic systems
- liquid-liquid equilibrium
- Liquid-vapor equilibrium condition
- Solubility of gases in liquids
- Calculation methods
- Introduction
- Quantities of excess
- Simple empirical models
- Contributions to enthalpy free from excess
- Associated solutions
- Ionic solutions/electrolytes
- Introduction
- State equations: principle
- Mixtures rules
- State equations derived from Viriel
- Cubic equations of state
- SAFT equations
- Application of state equations
- Conclusion
- Introduction
- Chemical equilibrium condition
- Calculation of the chemical equilibrium
- Thermochemical data
- Prediction of thermochemical data
- Reaction quantities
- Conclusion
Learning outcomes of the learning unit
The Applied Chemical Thermodynamics Course aims to:
- Introduce you to the practical use of thermodynamics in process modeling.
- Make you understand all the complex operations that hide behind the simple and quick choice of a thermodynamic model in calculation software like Aspen Plus, EES, coolprop, etc.
- Make yourself aware of the importance of the quality of thermodynamic data found in databases or simulation software
- Familiarize yourself with the available thermodynamic parameter estimation methods and their application limitations
- To identify the thermodynamic quantities needed to model a multi-compound chemical system,
- To master the relations that unite the different thermodynamic quantities,
- To justify the use of these thermodynamic quantities in process engineering
- To estimate these quantities from literature
- To acquire the concepts allowing to evaluate practically thermodynamic quantities from incomplete data
- To select the most appropriate methods for the evaluation of thermodynamic quantities among those proposed by process modeling software
- To appreciate the accuracy and reliability of the different estimation methods
- To practically evaluate the thermodynamic quantities of chemical systems to allow their use in a process model.
Prerequisite knowledge and skills
To take this course, you must master some basic notions of chemistry because you will be asked to be able to:
- Recognize and draw molecules
- Identify the polar or non-polar character of a molecule
- Balancing a chemical reaction
- Compute an equilibrium
- Know and be able to calculate the different thermodynamic functions: U, H, G, S
- Know and know how to apply the first 2 principles of thermodynamics
- Be able to calculate the equilibria of ideal solution phases, especially on a graphical basis: LV and LS
- CHIM9272-2: Chemistry 1
- CHIM9273-1: chemistry 2
- CHIM0286-1: thermodynamic elements
- «General chemistry» by Paul Arnaud
- "Thermodynamics, a pragmatic approach" by Y. A. Cengel, M. A. Boles and M. Lacroix
Planned learning activities and teaching methods
The teaching of theory is based on ex-cathedra courses. All the developments are explained on the board by the teacher the complex equations studied in this course as well as the hypotheses on which they are based. The different theoretical courses are also available in the form of commented PowerPoint available on onedrive, which will allow you in case of doubt on a point of theory, to find the explanation given to the course by the teacher. You also have the possibility, in case of force majeure, to follow the course asynchronously. However, we do not recommend this method because it deprives you of the opportunity to react live in case of questioning on a particular point of the theory. In addition, the risk is greater when you study remotely to let you distance yourself, but the key to success is a regular study of the theory.
To allow you to check your understanding of the theory, MCQ tests will be made available each week on ecampus. We ask you to try to answer them before the next course, to put you in optimal conditions for the success of the proposed exercises but also of the exam. You can perform these tests several times. A minimum of 100 points is required before coming to TD. The following week, during the theoretical course, we will return to the questions that were misunderstood, and at the beginning of TD, we will ask you to answer one of the questions of the randomly selected test. The theory of problematic issues will be explained again.
The Tutorials (TD) will be devoted to putting into practice some important points of the theory. The TD Calendar has been established so that the TD theory is fully visible prior to completing the exercises. Activity sheets for the different TDs are available on ecampus. We ask that you review them each week to make them as efficient as possible.
TD will always start with a theoretical reminder of the exercises performed. This reminder will allow you to review the material previously taught from another point of view, which will help you to better understand and assimilate the more difficult notions. Then a specific exercise is solved on the board by the teacher. Each step is detailed aloud to allow you to reproduce the reasoning and help you perform similar exercises. You will then have to deal with these extra exercises in groups of two and the teacher is available to answer all your questions.
Each week, TDs will be oriented towards solving a very specific type of problem. At the end of the course, however, it is essential that you be able to solve a complex problem of chemical thermodynamics. To achieve this objective, projects like problems that an engineer must be able to solve (one on pure components and one on mixtures) will be submitted at the beginning of each part (Week 16 for pure components and week 8 for the mixtures).
Projects are not a mere juxtaposition of exercises. They require a thorough understanding of thermodynamics. To make progress on a regular basis in the resolution of your projects, without waiting to have covered the whole subject and to understand everything, you will be told every week what part of the project can already be resolved through exercises.
These projects will be carried out by groups of two students. If you fit the theoretical concepts, the completion of each project will take you between 10 and 15 hours of work. The assimilation of the theory necessary for the project is not included in these hours but is distributed throughout the four-year period through your regular study validated by the completion of the tests. We believe that this is the best way to ensure that you have achieved the learning objectives targeted at the end of this course. They can be submitted in handwritten format. These projects are presented at the beginning of each party, gradually resolved according to the progress of the subject matter, and made one week after the end of the party concerned. Each project will undergo a mid-term formative evaluation. At this time, not all the tasks requested will be resolved, but feedback on the process will be provided to help you understand the required level (including the systematic rationale for the assumptions).
The following is an estimate of the distribution of hours of work considered ideal for success. As a reminder, this course represents 5 ECTS, or 150 hours of study.
Description/hours per week/Total (13 weeks)
Weekly Course/4h/52h
Revision of theory and online test/2h/26h
Home exercises/1.5 h/19.5h
Progress in the project/1.5 h/19.5h
Finalization of pure components project/ /8h
Finalization mixtures project/ /8h
Preparation and exam/ /17 h
Mode of delivery (face to face, distance learning, hybrid learning)
Face-to-face course
Additional information:
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
The theory syllabus for mixtures, exercise syllabi, and theoretical slides are available in .pdf on eCampus (CHIM0009>>>partie...). The point-of-theory power is also available in the audio-commented format.
Preparation sheets and corrected exercises, in .pdf are available on ecampus (CHIM0009>>>partie...)and in a detailed version .mp4 on onedrive.
A discussion forum is open on eCampus (CHIM0009. Discussions) to ask questions about theory or exercises. This forum allows all users to see the questions asked and the answers obtained and is therefore privileged for a maximum of students to benefit.
All the reference books are available at the "Sciences et Techniques" library. It is :
- Vidal (1997) Thermodynamics, application to chemical engineering and the petroleum industry. Editions Technip, IFP.
- De Hemptinne, J. Mr. Ledanois, P. Mougin, A. Barreau (2012). Select Thermodynamic Models for Process Simulation, Practical Guide. a Three Steps Methodology. Editions Technip, IFPEn.
Exam(s) in session
Any session
- In-person
written exam ( multiple-choice questionnaire, open-ended questions )
Written work / report
Continuous assessment
Additional information:
Formative evaluations are planned, on a weekly basis, throughout the year in the form of MCQ tests. These assessments will allow you to determine if your theoretical knowledge of the subject matter is sufficient. In advance, we will also verify your knowledge at the beginning of each TD. The correction of the least successful questions will provide an opportunity to review the corresponding theory. On a distant basis, the tests will be available weekly on ecampus. Feedback will refer you to the theory point for the question.
For projects, a formative evaluation will be proposed at mid-term. We will then give you feedback to improve your report before making the final version.
The final score for this course is a weighting between:
- A written examination with questions about theory and exercices, targeting both parts (pure components and mixtures) of a duration of 4 hours during the session.
- A project on the pure components part carried out in a group of 2 students. This draft will be distributed to you on week 1, and should be delivered before Friday, week 8.
- A project on the mixtures part carried out in a group of 2 students. This project will be distributed to you on week 8, and will have to be delivered before Friday, week 13.
-exam (theory and exercises) 60%
-projects 40%
In the event of failure at the June exam, students who wish to retake the exam at the second session and who have obtained a mark of less than 10/20 on the project must resubmit the project individually by 15/8. If the project is not resubmitted by 15/8, these students will not be allowed to retake the exam.
In August, the distribution of the final grade will be:
-exam (theory and exercises) 70%
-projects 30%
Work placement(s)
Organisational remarks and main changes to the course
13 courses (Q2)
Monday afternoon (13:30-15:30 theoretical courses at R53 (B4); 15:45- 17:45: TD at R53 (B4)
Please always check your schedule on celcat (myuliege).
Activity sheets are available on ecampus to enable you to follow the program that we believe is ideal for this course. They detail both pre-emptive activities and activities to be undertaken at home.
Teaching for the Pure components part: Nathalie Job
Teaching for the Mixtures part: Grégoire Léonard
Teaching for the practical classes: Marie-Noëlle Dumont
Contacts
Pure Components Theory and Project: Nathalie Job, Full Professor
Department of Chemical Engineering, Institut de Chimie B6a, bureau 0/10
Phone: 04 366 3537 ; Email : nathalie.job@uliege.be
Mixture Theory and project Grégoire Léonard, Professor
Department of Chemical Engineering, Institut de Chimie B6a, bureau 0/68
Phone: 04 366 3513 ; Email: g.leonard@uliege.be
Directed work and projects (pure and mixed components): Marie-Noëlle Dumont, associated professor
Department of Chemical Engineering, Institut de Chimie B6a, bureau 0/65b
Phone: 04 366 3523 ; Email: mn.dumont@uliege.be