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| CHIM0695-1 | Introduction to modeling of chemical systems
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| Duration : | 30h Th, 30h Pr |
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| Number of credits : |
| Master in Chemical Engineering and Materrial Sciences, in-depth approach, 1st year | | 5 |
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| Master in Chemical Engineering and Materrial Sciences, in-depth approach, 1st year | | 5 |
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| Master in Chemical Engineering and Materrial Sciences, in-depth approach, 2nd year | | 5 |
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| Master in Chemical and Material Sciences, specialized approach, 1st year | | 5 |
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| Master in Chemical and Material Sciences, specialized approach, 1st year | | 5 |
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| Lecturer : | N... |
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| Substitute(s) : | Grégoire Léonard |
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Language(s) of instruction :
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| French language |
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Organisation and examination :
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| Teaching in the first semester, examination in June |
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Course contents :
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| The course reviews methods allowing to evaluate physical and thermodynamical properties of mixtures. Main types of equations of state are addressed. We describe thermochemical properties involved in chemical reactions, and discuss the calculation of chemical equilibria.
Goal and use of modelling, examples
Model types : steady state/dynamics; algebraic/differential;
How to build a process model : balance equations, constitutive laws, constraints and specifications, degrees of freedom.
Thermodynamic models in simulation software.
Equation solving; problem simplification by decomposition; numerical methods for equation solving. |
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Learning outcomes of the course :
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| 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.
Aquire knowledge and develop skills allowing to build, tune and use efficiently a mathematical model of a chemical of thermal process.
Learn how to use professional flowsheeting and simulation software tools. |
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Prerequisites and co-requisites/ Recommended optional programme components :
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| Applied chemical thermodynamics, physical property evaluation methods
Linear algebra, introduction to numerical analysis and algorithmics
Chemical engineering fundamentals, enough to construct models of major unit operations. |
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Planned learning activities and teaching methods :
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| 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.
One personal application involves retrieving properties in several data bases.
7x4 hr numerical applications (demonstrations and use of simulation and flowsheeting software), in parallel with the formal course.
Use of professional flowsheeting software
Stepwise building of the model of an ammonia synthesis loop. |
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Mode of delivery (face-to-face ; distance-learning) :
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| 2 hours/week lectures (Tuesday pm)
Numerical applications 2 hours/week (Tuesday pm)
Numerical application and practice 2 to 4 hr/week in parallel with the courses (Wednesday morning) |
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Recommended or required readings :
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| 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 eCampus portal.
Documents are available on eCampus |
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Assessment methods and criteria :
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| One personal home works in thermodynamics: report is evaluated
Written examination : open book application
Oral examination in June
Written reports on numerical applications
Oral examination (after written preparation) |
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Work placement(s) :
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Organizational remarks :
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| Tutoring and practice :Claude Dodet <Cl.Dodet@ulg.ac.be> |
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Contacts :
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| 1) Grégoire Léonard
Institut de Chimie B6, local R67b
Téléphone : 04 366 9592
FAX : 04 366 3525
Courriel : G.Leonard@ulg.ac.be
2) Marie-Noëlle Dumont (mn.dumont@ulg.ac.be) |
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