Chemical Thermodynamics II

Code:

EQ208

Acronym:

TQII

Instance: 2004/2005 - 2S

Active?	Yes
Responsible unit:	Department of Chemical 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	96	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

Introduce students to the theory and applications of solution thermodynamics and chemical reaction equilibria. Detailed study of phase equilibria, in particular, vapour-liquid equilibria.

Program

1. An Introduction to Vapour-Liquid Equilibria
Qualitative behaviour of the vapour-liquid equilibria (VLE). Simple models for vapour-liquid equilibria:Raoult's and Henry´s laws. Dewpoint and bubblepoint calculations. VLE by modified Raoult´s law and K-value correlations. Flash calculations.
2. Solution Thermodynamics: Theory
Fundamental property relation. The chemical potential and phase equilibria. Partial properties. Equations relating molar and partial molar properties. Partial properties in binary solutions. Relations among partial properties. Ideal gas mixtures. Fugacity and fugacity coefficient for pure species. VLE 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. The ideal solution: the Lewis/Randall rule. Excess properties. The excess Gibbs energy and the activity coefficient. The nature of excess properties.
3. Solution Thermodynamics: Applications
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. 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.
5. 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.

Mandatory literature

Smith, J. M.; Introduction to chemical engineering thermodynamics. ISBN: 0-07-240296-2

Complementary Bibliography

Prausnitz, John M.; Molecular Thermodynamics of Fluid-Phase Equilibria. ISBN: 0-13-977745-8

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
	Exame			2005-03-21
	Exame			2005-05-16
	Total:	-	0,00

Eligibility for exams

Students are expected to take two mid-term exams, 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 mid-term exams)

Examinations or Special Assignments

Not applicable.

Special assessment (TE, DA, ...)

Final exam.

Classification improvement

Final exam.