Physical Chemistry I

Recommended Prerequisites

1^st year.

Teaching Methods

The lectures support the student´s learning on solid foundations of  the aspects of physical chemistry covered in this discipline. The TP classes are carried on with active involvement of the students in the discussion of the resolution of the problems that are provided at the beginning of the semester.

Learning Outcomes

To provide knowledge on Thermodynamics, Statistical Mechanics and Intermolecular Forces.

Work Placement(s)

No

Syllabus

Chemical  Thermodynamics:

Principle zero. First principle. Thermochemistry. Second principle. Concept of entropy. Clausius inequality. Fundamental equations of thermodynamics. Third principle. Partial molar properties. Ideal solutions. Real solutions. Thermodynamic activity, activity coefficient. Phase Equilibrium, pure compounds, multicomponent systems. Phase diagrams. Equilibria in chemical reactions.

Statistical Mechanics:

Macro and micro states. Statistics and distributions. Microcanonical and canonical ensembles. Microcanonical, canonical and molecular partition functions. Relationship between the partition function and thermodynamic functions. Calculation of the equilibrium constant. Application to ideal gases.

Non-ideal gases and liquids. Monte Carlo method and molecular dynamics.

Intermolecular Forces:

Equations of state and intermolecular forces. Van der Waals forces and Coulomb interactions. Interatomic potentials. Multipole expansion and the various types of interactions.

Head Lecturer(s)

Jorge Manuel Campos Marques

Assessment Methods

Assessment
Mini Tests: 30.0%
Exam: 70.0%

Bibliography

LEVINE, I. N. (2002). Physical Chemistry. 5ªed. N. Y.: McGraw-Hill.

BEVAN OTT, J.; BOERIO-GOATES, J. (2000), Chemical Themodynamics Pinciples and Applications. Salisbury: Academic Press.

SANDLER, S. I. (2011). An Introduction to Applied Statistical Thermodynamics. John Wiley & Sons.