Chemical Thermodynamics

Recommended Prerequisites

Mathematical Analysis I and II; General Chemistry. English (level 3/B1).

Teaching Methods

The teaching is done in both  theoretical and practical sessions. The lectures are expository but also include examples and exercises where the knowledge acquired is applied. The practical classes are intended for problem solving, and the work and group discussion will be encouraged. In practical classes there will be also methodologies using virtual applications developed in JavaScript and also using Java applets which were developed specifically for this unit (but that could be used in other units).

Learning Outcomes

The goals are oriented to the aspects directly related to applications with particular focus on the calculation of thermodynamic properties for fluid phase systems which are dominant in the chemical processes. The classical point of view, macroscopic, is adopted without excluding, the use of Molecular Thermodynamics.

The course aims at developing the following skills: Develop critical thinking; Adaptability to new situations; Competence in autonomous learning, competence in applying theoretical knowledge in practice; Competence in analysis and synthesis; Computer skills relating to the scope of the study; Ability to formulate and solve problems.

Work Placement(s)

No

Syllabus

PART 1/Fixed composition systems:  review of basic concepts and relationships. Adiabatic, mechanical and thermal coefficients. Physical and mathematical relationships between the coefficients. Heat capacity of gases, heat capacities of liquids, and heat capacities of solids (reference to prediction methods).

PART 2 / Phases of variable composition: Gibbs-Duhem equation. Methods of determination of partial molar properties. Phase equilibria in one component systems: Clausius-Clapeyron equation. Vapor Pressure: semi-empirical equations; estimation. Melting curve; Simon equation. Phase equilibrium in fluid mixtures: Fugacity and activity. Ideal mixture: Henry's Law; Lewis and Randall rule. Raoult's law. Excess thermodynamic functions (Gibbs energy excess). Calculation of  vapor+liquid equilibrium: BUBLP, DEWP, BUBLT, DEWT; FLASH calculations. Gas + liquid solubility. Liquid+ liquid and solid+liquid equilibria.

Head Lecturer(s)

Abel Gomes Martins Ferreira

Assessment Methods

Assessment
Exam: 100.0%

Bibliography

Lobo, L. Q.; Ferreira, A. G. M. Termodinâmica e Propriedades Termofísicas, Vol 1, Termodinâmica das fases, I.U.C, Coimbra, 2006.

Smith, J. M.; Van Ness, H. C.; Abbott, M. M. Introduction to chemical engineering thermodynamics, 6th ed., McGraw-Hill, New York, 2001.

Prausnitz, J. M.; Lichtenthaler, R. N.; Azevedo, E. G. Molecular thermodynamics of fluid phase equilibria, 3rd ed., Prentice-Hall, Englewood Cliffs,

Van Ness, H. C.; Abbott, M. M. Classical thermodynamics of non-electrolyte solutions, McGraw-Hill, 1982.

Azevedo, E. G. Termodinâmica aplicada, 3ª ed., Escolar Editora, Lisboa, 2011.

 

É de destacar os livros de autores portugueses. Contudo, são referências indispensáveis as obras de J. M. Prausnitz (Univ. da Califórnia, Berkeley) e colaboradores, e as de H. C. Van Ness (como co-autor de J. M. Smith, Univ. da Califórnia, Davis), do Rensselaer Polytechnic Inst. de Nova York, melhoradas significativamente desde que se lhes juntou na co-autoria M. M. Abbott, do mesmo Instituto.