CHIM0009-3 : Applied Chemical Thermodynamics

Study Programmes 2016-2017

CHIM0009-3

Applied Chemical Thermodynamics

Duration :

30h Th, 30h Pr

Number of credits :

Bachelor in engineering		5
Master in chemical and materials engineering (120 ECTS)		5
Master in chemical and materials engineering (120 ECTS)		3

Lecturer :

Nathalie Job, Grégoire Léonard

Coordinator :

N...

Language(s) of instruction :

French 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

Learning unit contents :

Part I : Pure substances
The course reviews methods allowing to evaluate physical and thermodynamic properties of pure components. After a revision 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 (coresponding states, group contributions), before presenting the main types of equations of state.

Part II: Mixtures
The course makes an overview of methods for evaluating the physical and thermodynamic properties of mixtures.
First, variables necessary for characterizing a fluid mixture will be recalled and defined. For their evaluation, 2 main methods exist and will be described: Equations of state, and activity coefficient methods. The choice is done depending on the application, so examples will be given.
The main types of state equations will be described and the mixing rules in case of binary mixtures will be given (+ extension for multi-compounds mixtures). The activity coefficient methods will also be 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 data of chemical fluid systems and to predict them to enable their use in a process model.
At the end of this class, students will be able to identify and master the links between the thermodynamic variables necessary to characterize a fluid system, 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 et CHIM9273-1)
Rudiments of thermodynamics (CHIM0286-1)

Planned learning activities and teaching methods :

Part I : Pure substances
The goal of practical applications is to illustrate the concept explained during theoretical lessons. This is achieved by manual calculation of a few properties using various estimation methods. Problem solving (enthalpy balance on open systems with real fluids).

Part II: Mixtures
The course will consist in lectures and practical classes.

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

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