Chemical Thermodynamics II

Code:

EQ208

Acronym:

TQII

Instance: 2005/2006 - 2S

Active?	Yes
Responsible unit:	Department of Chemical and Biological Engineering
Course/CS Responsible:	Chemical Engineering

Cycles of Study/Courses

Acronym	No. of Students	Study Plan	Curricular Years	Credits UCN	Credits ECTS	Contact hours	Total Time
LEQ	92	Plano Oficial EQ a partir 2003	2	3,5	6	-
		Plano para Bachareis EQ a partir de 1996	1	3,5	6	-

Teaching language

Portuguese

Objectives

To learn the different methodologies for the application of chemical thermodynamics to chemical engineering processes, namely for the study of mixing or separation processes dealing with multicomponent vapor and liquid phases, with and without chemical reactions.


To learn to carry out calculation of thermodynamic properties and phase and chemical equilibria, using models based on the excess Gibbs energy and on equations of state. Systems made of different solvents, solutes, electrolytes and polymers are focused.

Program

1. Introduction to Phase Equilibrium
Fundamental thermodynamic property relations. The concept of chemical potential and its relationship with phase equilibria. Ideal gas mixtures and Gibbs's theorem. Ideal solution model. VLE calculations using Raoult's law.

2. Solution Thermodynamics: Theory
Partial properties. Equations relating molar and partial molar properties. Partial properties in binary solutions. Relations among partial properties. Fugacity and fugacity coefficient for pure species. Fugacity of a pure liquid. Fugacity and fugacity coefficient for species in solution. The fundamental residual property relation. Fugacity coefficients from the virial equation of state and generalized correlations. Excess properties. The excess Gibbs energy and the activity coefficient. The nature of excess properties.

3. Solution Thermodynamics: Applications
The phase rule. Duhem's theorem. Qualitative behavior of VLE. Simple models for VLE representation. Dewpoint and bubblepoint calculations. VLE calculations using the modified Raoult's law and K-values from correlations. Flash calculations.
Liquid phase properties from VLE data. Fugacity. Activity coefficient. Excess Gibbs energy. Data reduction.Thermodynamic consistency. Models for the excess Gibbs energy. Local composition models. Property changes of mixing. Heat effects of mixing processes. Heats of solution. Enthalpy-Concentration diagrams.

4. Topics in Phase Equilibria
The gamma/phi formulation of VLE. VLE from cubic equations of state. Equilibrium and stability. Liquid-liquid equilibrium. Vapour-liquid-liquid equilibrium. Solid-liquid equilibrium. Osmotic equilibrium and osmotic pressure.

5. Chemical Reaction Equilibria
The reaction coordinate. Multireaction stoichiometry. Application of equlibrium criteria to chemical reactions. The standard Gibbs energy change and equilibrium constant. Effect of temperature on the equilibrium constant. Evaluation of equilibrium constants. Relation of equilibrium constants to composition. Gas-phase and liquid-phase reactions. Equilibrium conversions for single reactions. Single phase reactions. Reactions in heterogeneous systems. Multireaction equilibria. Fuel cells.

Mandatory literature

J. M. Smith, H.C. Van Ness, M.M. Abbott; Introduction to Chemical Engineering Thermodynamics, McGraw-Hill Higher Education, 2005. ISBN: 007-124708-4

Complementary Bibliography

S.I. Sandler; Chemical and Engineering Thermodynamics, John Wiley & Sons, New York, 1999

Teaching methods and learning activities

1) Lecturers to introduce the theory and solving some exemplificative problems;
2) Lectures for analysing and solving proposed exercises;
3) Office-hours.

Evaluation Type

Distributed evaluation with final exam

Assessment Components

Description	Type	Time (hours)	Weight (%)	End date
Home work on vapor-liquid equilibrium at low pressure	Trabalho escrito	6,00		0006-04-06
Home work on phase equilibria	Trabalho escrito	6,00		0006-05-25
	Total:	-	0,00

Eligibility for exams

Students are expected to do two home works, and follow FEUP?s regulations on this subject.

Calculation formula of final grade

The final classification is calculated by the formula:
0.85x(grade of the exam)+0.15x(average grade of the two home works)

Examinations or Special Assignments

Not applicable.

Special assessment (TE, DA, ...)

Final exam.

Classification improvement

Final exam.