Study Programmes 2015-2016
CHIM0695-2  
Introduction to the modelling of chemical processes
Duration :
20h Th, 45h Pr
Number of credits :
Master in chemical and materials engineering (120 ECTS)5
Lecturer :
Marie-Noëlle Dumont, Grégoire Léonard
Language(s) of instruction :
English language
Organisation and examination :
Teaching in the first semester, review in January
Units courses prerequisite and corequisite :
Prerequisite or corequisite units are presented within each program
Course contents :
The course first evaluates the objectives and the usefulness of models through examples with a special focus on chemical processes. The difference between conceptual models and simulation models is highlighted. Different model types are identified: static/dynamic, algebraic/differential... The key elements required for the development of a simulation model are discussed: balance equations, fundamental laws, constraints and specifications, degrees of freedom. The use of models for predicting thermodynamic properties of mixtures within a process is also addressed. Finally, different solving approaches for chemical processes models are presented: equations oriented and sequential modular approaches. Finally, basic methods for numerical equation solving are also described.
Learning outcomes of the course :
In this course, students will gain theoretical and practical knowledge in order to be able to develop, calibrate and efficiently use a mathematical model of a chemical and/or thermal process. They must learn to make the difference between the design of a model and its use. The main approaches for modelling an industrial process must be clearly identified and understood. Students must gain a good command of the building steps necessary to develop a model of a physical unit operation. They will be able to implement the sequential modular approach for building a model of an industrial process based on a given flowsheet, including the identification of tear streams. From the practical works, the students will learn to use the simulation tool Aspen Plus and they will get an introduction to Hysys. They will learn the basics of selecting a relevant thermodynamic model to predict the properties of a chemical system. Finally, at the end of the course, they will have the tools available for addressing the numerical solving of industrial processes models.
Prerequisite knowledge and skills :
Applied chemical thermodynamics and evaluation of pure component thermodynamic properties. Linear algebra, introduction to numerical analysis and algorithmics.  Basics of chemical engineering in order to build mathematical models for common devices.
Planned learning activities and teaching methods :
Students an insight in the basics of modelling with particular application to the modelling of industrial processes. In parallel to the lectures, 9x4h of practical classes will be held with the objectives of evidencing and teaching the use of simulation software. Commercial simulation tools are used. During the practical classes, the model of a process loop for ammonia synthesis will be developed little by little and the model will be used to perform process optimization.
Mode of delivery (face-to-face ; distance-learning) :
Course held in the fall semester. Lectures(2h/week) and practical classes ( 4h/week).
 
Recommended or required readings :
Reference book : J. Vidal, Thermodynamique (éditions Technip 1997)
Lecture slides and applications available on eCampus.
Simulation software available in the IT room or to install on your own computer after discussion with the supervisor.
Assessment methods and criteria :
Practical classes reports (by groups of 2, 40% of the final note)..
Written examination (60% of the final note).
It is necessary to achieve a note of minimum 10/20 for each part (Practical classes and theory) to pass the class. The note of each part can be kept for the second session.
Work placement(s) :
Organizational remarks :
Contacts :
1) Grégoire Léonard (G.Leonard@ulg.ac.be)
2) Marie-Noëlle Dumont (mn.dumont@ulg.ac.be)