529-0557-00L  Chemical Engineering Thermodynamics

Semester Autumn Semester 2016
Lecturers A. Butté
Periodicity yearly course
Language of instruction English

Abstract This course teaches the fundamentals of thermodynamics applied to the description of real mixtures in the presence of physicochemical equilibria, including methods to quantitatively estimate them. While giving insights into the meaning and properties of main thermodynamic quantities, the course keeps primary focus on application to real chemical engineering problems.
Objective The objective of the course is twofold. First, to teach the methods to calculate the volumetric and thermodynamic properties of mixtures in the presence of physicochemical equilibria. In particular, students are supposed to acquire the knowledge on which thermodynamic properties have to be estimated to carry out such calculation, on which data which need to be gathered and estimated, on the methods, the relative assumption and approximations. Second, the course is intended to give the students a sufficient theoretical insight on the thermodynamic properties, which will be used for future applications and studies.
Content The first part of the course is focusing on pure fluids (ideal and real). First, some fundamentals of thermodynamics are reviewed, including thermodynamic quantities and balances (of mass, energy and entropy). Then, equations of state and their use to estimate the volumetric properties of pure fluids are introduced. Finally, it is discussed how to use previous results for the estimation of the main thermodynamic properties (internal energy, enthalpy, entropy, free Gibbs energy, fugacity, etc.).

The second part of the course is focusing on mixtures, starting from binary mixture to mixtures of N components. Again, real mixtures are discussed, with emphasis on when such mixtures can be approximated as ideal ones and on the corrections which are needed to switch from ideal to real mixtures. As for pure fluids, first the use of the equations of state is discussed to estimate volumetric properties, then the estimation of thermodynamic properties of mixtures is introduced. In this part, a particular focus is given to phase equilibria in the absence of chemical reactions. The most common equilibria (liquid-vapor, solid-liquid, liquid-liquid, etc) are discussed.

In the last part of the course, the chemical equilibria are discussed, with particular focus on the calculation of mass and energy balances for multicomponent systems (mixtures), also in the presence of physical equilibria.

During the lectures, theoretical aspects will be discussed and will be linked to application by the discussion of a comprehensive study case, including the methods for its solution. Detailed exercises will be given (and discussed later) to the students, to let them familiarize with the main methods discussed during the lecture.
Lecture notes No script will be available. Support material consists of PowerPoint presentations, which will be available in PDF format online.
Literature Books on this subject can be mostly found under the title: 'Chemical Engineering Thermodynamics', 'Thermodynamics for Chemical Engineers', or 'Chemical Process Principles'. A selection:

{1} "A textbook of Chemical Engineering Thermodynamics", K.V. Narayanan, PHI Learning Private Limited 2013
{2} "Thermodynamik", J. Gmehling, B. Kolbe, 2. Auflage, VCH Weinheim 1992
{2a} "Chemical and Engineering Thermodynamics", S.I. Sandler, 3rd edition, John Wiley 1999
{2b} "Chemical and Process Thermodynamics", B.G. Kyle, 2nd edition, Prentice Hall 1992
{2c} "Thermodynamik", C. Lüdecke, D. Lüdecke, Springer Verlag 2000
{2d} "Thermodynamik der Gemische", A. Pfennig, Springer Verlag 2004
{3} "Introduction to Chemical Engineering Thermodynamics", J.M. Smith, H.C. van Ness, 4th edition, McGraw-Hill 1987
{4} "Chemical Engineering Thermodynamics", T.E. Daubert, McGraw-Hill 1985
{5} "Molecular Thermodynamics of Fluid-Phase Equilibria", J.M. Prausnitz, R.N. Lichtenthaler, E.G. de Azevedo, 2nd edition, Prentice Hall 1986
{6} "Chemical Process Principles", O.A. Hougen, K.M. Watson, R.A. Ragatz, Volume 2, 2nd edition, John Wiley 1962

Acquisition of material properties and data:

{7} "The Properties of Gases and Liquids", R.C. Reid, J.M. Prausnitz, B.E. Poling, 4th ed., McGraw Hill 1987
{8} "Data Compilation Tables of Properties of Pure Compounds", ed. by T.E. Daubert, R.P. Danner, AIChE Design Institute for Physical Property Data, New York 1984
{9} "Manual for Predicting Chemical Process Design Data", ed. by R.P. Danner, T.E. Dau¬bert, AIChE Design Institute for Physical Property Data, New York 1985
{10} "Chemistry Data Series", ed. by J. Gmehling, U. Onken, Dechema, Frankfurt
{11} "TRC Thermodynamic Tables", Thermodynamic Research Center, College Station USA
{12} "Zahlenwerte und Funktionen aus Naturwissenschaften und Technik", Landolt-Börnstein,Band IV, Teil 4, Bandteil a.
{13} "Ekilib", Macintosh-Programm zur Berechnung von Phasengleichgewichten, L.A. Baez, F.A. Da Silva, E.A. Müller, Universidad Simon Bolivar, Caracas 1991
{14} "The second virial coefficients", J.H. Dymond, E.B. Smith, Clarendon Press, Oxford 1969
{15} "Chemical Thermodynamics", I. Prigogine, R. Defay, Longmans, London 1954
{16} "Steam Tables in SI Units", U. Grigull, J. Staub, P. Schiebener, Springer 1984
{17} http://webbook.nist.gov/chemistry/fluid/
Prerequisites / Notice Knowledge in chemical thermodynamics required