Ateneo - UPO

Elements of classical thermodynamics and introduction to quantum mechanics. See "Programma esteso" (Extended Program) for more detailed information.

Notes given by the teacher 
P.W. Atkins e J. De Paula, "Chimica Fisica", Zanichelli. 
A.C. Philips “Introduction to Quantum Mechanics”, Wiley 
Levine “Quantum Chemistry”, Prentice Hall

The course is organized in frontal lesson to give to students a basic knowledge of the concepts of chemical thermodynamics and of the principles of quantum mechanics necessary to understand the structure and the properties of atoms and molecules.
It is also foreseen the collegial conduct of exercises in order to stimulate learning ability and independence of judgment.
Students are encouraged to interact with the teacher to clarify the topics covered in the course and this will also allow to stimulate communication skills and that is to acquire and know how to use an appropriate chemical vocabulary in relation to the topics and techniques covered in the course.

First year courses of Maths, Physics and General Chemistry.

Lectures in the classroom, guided exercises performed by the students, collegial discussion sessions. During the course the students will be stimulated to interact with the teacher and the resolution of exercises in collegiate sessions will stimulate the application of knowledge and independence of judgment.

Theoretical lessons will include many exercises. Students will be ask to solve exercises and to participate to the discussion of the results.

The assessment of the preparation will take place with a written and an oral test. The written test includes 6 exercises related to thermodynamics where you will be asked to apply theoretical knowledge. In the written test, the total points (30) are divided equally between the exercises; the sufficiency that allows access to the oral exam is reached when the overall score (obtained also from partial solutions of the exercises) reaches 18/30.
The oral exam consists of some questions on the various topics of Thermodynamics and Quantum Mechanics, with the aim of evaluating in an extensive and in-depth way the candidate's preparation, critical sense and ability to learn. In the oral exam, sufficiency is achieved by showing basic knowledge and skills on the topics covered in the course and the use of an adequate vocabulary. Excellence is achieved by demonstrating an in-depth knowledge of the topics required in the oral exam and by adequately solving the exercises of the written test, demonstrating a critical sense.
The final grade does not derive from a weighted average of the results obtained in the written and oral tests, but rather from a final evaluation expressed jointly by the Commission on the basis of what emerged in the written and oral tests.
The students' communication skills will be assessed during the oral exam in relation to the language used by the students to answer the various questions asked.

The course is carried out in strict relation with the course of Laboratory of Physical Chemistry I. The aim of the course is to give the student the basic concepts of chemical thermodynamics and the principles of quantum mechanics necessary to understand the structure and the properties of atoms and molecules. These are preparatory concepts for the Physical Chemistry courses of the following years as well as basic knowledge for the better understanding of the Inorganic Chemistry, Organic Chemistry and Analytical Chemistry. The topics treated in the course can be divided in two parts: Part A: Thermodynamics Recall of the principles of thermodynamics already treated in the physics course. Reaction enthalpy and thermochemistry. Entropy, spontaneous processes, state functions and definition of the Gibbs free energy. Standard molar functions. Properties of Gibbs function and its dependence from pressure and temperature. Real gases and fugacity. Chemical potentials. Open systems and composition variations. Phase transitions and phase diagrams. Simple mixtures and real mixtures (activity). Colligative properties. Mixtures of volatile liquids and distillation. Chemical reactions: spontaneous reactions and equilibrium composition. Relation between the reaction standard free energy and the equilibrium constant. Dependence of equilibria from pressure and temperature. Ionic solutions and electrolytic cells. Examples of thermodynamic studies of industrial processes. Part B: Quantum Chemistry Failures of classical mechanics and introduction to the principles of quantum mechanics. Schördinger's equation and the wave function. Origin of quantization. Application to the treatment of the translational, vibrational and rotational motions of quantum particles. Structure and spectra of hydrogen-like atoms. Solution of Schördinger's equation for hydrogen-like atoms in order to obtain atomic orbitals and their energies; extension to many-electron atoms. Molecular structure: hydrogen molecule ion, diatomic and polyatomic molecules. Variation and perturbation methods. Huckel approximation and examples of treatment of molecules with conjugated double bonds.
Use of teaching materials for a self-study aimed at developing learning skills.

Knowledge and understanding: knowledge of the principles and basic methods of Classical Thermodynamics; knowledge of the main state functions and their relationships, of the computation of heat and work transfers, and of machine efficiencies; knowledge of the comcept and use of chemical potential, also in connection with the chemical equilibrium; basic knowledge of principles and techniques of Quantum Mechanics, and their application to simple model systems; 

Applying knowledge and understanding: capacity to solve physical and chemical problems involving thermodynamics; skill to solve numerical physico-chemical problems; capacity to extract quantitatively the thermodynamic elements in complex problems and processes; skill to solve problems involving quantum mechanics, involving microscopic particles in model potentials.

Making judgements: skill to critically analyze the elements related to Thermodynamics or Quantum Mechanics in complex problems, recognizing possible errors and inconsistencies and proposing physically sound solutions. This aspect is mainly assessed through the written test by solving appropriate problems.


Communication skills: ability to report on scientific topics, in particular related to physical chemistry, in a precise, concise and clear manner, both in written and oral form.

Learning skills: ability to use the teaching material for a critical and reasoned study, also for a subsequent autonomous acquisition of superior knowledge and for a continuous updating. It is evaluated during the examination by carrying out the written exercises.