2020/2021

2021/2022

DM270

CHIM/02 (PHYSICAL CHEMISTRY)

DEPARTMENT OF CHEMESTRY

CHEMISTRY

PERCORSO COMUNE

2°

1st semester (27/09/2021 - 21/01/2022)

9

72 lesson hours

Italian

WRITTEN AND ORAL TEST

CAPSONI DORETTA (titolare) - 3 ECTS
GHIGNA PAOLO - 6 ECTS

The student is required to know the basic aspects of differential and integral calculus with multiple variables.
Furthermore, the mastery of the notions acquired during the 1st year of the three-year degree course in chemistry is required, and in particular: 1) Chemical reactions and their balance based on stoichiometry. 2) Chemical equilibrium. Expression of the law of mass action. 3) Phase diagrams of pure substances (eg water and carbon dioxide). Finally, general concepts of physics such as electromagnetic spectrum, energy, etc. are indispensable prerequisites.

Physical chemistry can be considered, in a sense, as the theory of chemistry. In this basic course, dedicated to the principles of classical thermodynamics and the fundamental notions of quantum mechanics, students are provided with the fundamental tools for understanding the physical laws that govern chemical transformations.
At the end of the course the student should be able to understand, even quantitatively, the principles underlying the structure / property / chemical reactivity relationships.

Concerning quantum mechanics, the main objectives are as follows: Origin of quantum mechanics; Familiarization with the formalism of the Schroedinger equation and use of the different operators; From the solutions of the Schroedinger equation for the hydrogen atom to the orbitals.

After a general introduction on the principles of thermodynamics, we move on to examine the equations of state of ideal and real gases, making some mention of the foundations of the kinetic theory of gases. We therefore consider the first law of thermodynamics in terms of heat and work. These concepts are formalized through the introduction of the internal energy and enthalpy state functions, and their relationships. In this way, the energetic aspects that govern transformations in general and chemical transformations in particular can be introduced in a quantitative way, through the fundamental concepts of thermochemistry: enthalpy of formation, integral enthalpy of dissolution, enthalpy of reaction and their dependence on temperature. The experimental aspects of thermochemistry are introduced thanks to calorimetry.
We then move on to consider the second principle of thermodynamics: we introduce the entropy function as an indicator of the direction of evolution of a system, and then to the expression of the absolute entropy of a substance thanks to the third law of thermodynamics. The insufficiency of entropy as a chemical potential consequently leads to the introduction of the free energy function (by Gibbs and Helmoltz). This allows to discuss the chemical equilibrium conditions in a system and the dependence of the equilibrium constant of a chemical reaction on pressure and temperature.
Phase equilibria in one-component systems are discussed through the Clapeyron and Clausius Clapeyron equations, and the phase rule.
Phase equilibria in two-component systems are then examined: liquid-vapor equilibrium at constant pressure and temperature, and solid-liquid equilibria, examining the main types of phase diagrams and their interpretation. This part of the chorus concludes with the discussion of the properties of ideal and real liquid mixtures (activity and activity coefficient, partial molar volumes, colligative properties) and of the equilibrium conditions in electrochemical systems through the introduction of electrochemical potential.


The crisis of classical physics and the introduction of quantum mechanics. The Schroedinger equation and Born's interpretation of the wave function. Quantum theory: techniques and applications: the motion of a particle in a box, the vibrational motion, the rigid rotor. Structure and spectra of the hydrogen-like atom.

All topics will be addressed with lectures.
The resolution, discussed with all the students, of some numerical examples on all the points of the program is foreseen. This activity that goes hand in hand with the lectures should facilitate the student to be able to face and discuss all aspects of the subject.

Peter Atkins- Julio de Paula - James Keeler "Chimica Fisica" (VI italian edition translated from the XI english edition) Zanichelli.
Slides presented during the lectures will be made available to the students.

The exam is divided into a written test and an oral test. In the written test the student must demonstrate to be able to solve, on the basis of the numerical examples discussed during the lessons, some problems concerning all the topics covered in the lectures.
The oral part provides for an in-depth study of the aforementioned topics, with particular attention to any shortcomings reported by errors made by the student in the written test.

The ways of verifying learning are discussed with students during the introductory lessons.

The course provides tools to pursue objectives 7 and 12 of the UN 2030 agenda.