# 00122 - Physical Chemistry

## Course contents

THERMODYNAMICS

Thermodynamic systems
Heat, work and internal energy. Entropy. Absolute temperature.
Thermodynamic equilibrium. Auxilary state functions: enthalpy, Helholtz and Gibbs free energies.
Fundamental equations. Thermal capacities. Thermochemistry. Chemical potential.
Phase transitions and equilibria (one component systems). Phase rule. Partial molar quantities, ideal and real solutions, activity.
Phase transitions and equilibria (two component systems). Phase diagrams. Reactive mixtures: chemical equilibria and equilibria constants.
Electrochemical thermodynamics.

CHEMICAL KINETICS

-  Reaction order, elementary processes, relationship between elementary processes and stechiometry.

-     First-order kinetic equations: integration, derivation of the kinetic constant, life time, numerical examples.

-      Second-order kinetic equations: integration for the 1 reagent case, integration for the 2 reagents case, derivation of the kinetic constant, life time, numerical examples.

-     nth-order kinetic equations: integration, derivation of the kinetic constant, life time, numerical examples.

-   Complex reaction schemes: consecutive and simultaneous reactions, derivation of the kinetic equations, numerical examples.

-      Steady-state approximation, pre-equilibrium approximation, numerical examples (determination of the products concentration).

-       Dependence of kinetic constant on temperature: Arrhenius equation and its explanation.

INTRODUCTION TO QUANTUM MECHANICS

-   Failure of classical mechanics (black-body radiation, Planck distribution, atomic and molecular spectra).

-       Wave-particle duality (nature of light and matter).

-   Quantum mechanics principles: Schrödinger equation, interpretation of the wavefunction, the uncertainty principle.

-       Particle in a mono-dimensional box; tunnel effect.

-       Vibrational motion: the harmonic oscillator.

-       Rotational motion: the 2D case.

-       Structure of hydrogen-like atoms: atomic orbitals and energies.

- P. Atkins e J. De Paula, Chimica Fisica, Zanichelli

- R. Cervellati, Lezioni di cinetica chimica sperimentale e interpretativa, Ed. CompoMat

- Appunti di lezione

## Office hours

See the website of Francesco Paolucci

See the website of Cristina Puzzarini