Physical Chemistry Iii
A.Y. 2022/2023
Learning objectives
Complete the Physico-Chemical background of the students, by providing a systematic and detailed microscopic interpretation of thermodynamics and of the matter at the solid state, as well as a brief account of the kinetic theory of gases and its application to transport phenomena and chemical kinetics.
Expected learning outcomes
Students will master basic thermodynamics and molecular computation of thermodynamic properties. They will have a basic knowledge of the matter at the solid state, its structure and its properties.
Lesson period: Second semester
Assessment methods: Esame
Assessment result: voto verbalizzato in trentesimi
Single course
This course cannot be attended as a single course. Please check our list of single courses to find the ones available for enrolment.
Course syllabus and organization
Single session
Responsible
Lesson period
Second semester
Lectures will be given in synchronous mode with the help of a meeting Teams. Lectures will not be recorded, but in Ariel students can find .mp4 files of the past years, along with all the ancillary material typically provided with the course (slides, notes and explanations as .pdf files). By the same token, in the case of epidemic threat, the written examination will be performed on-line, on exam.net, with the help of a Zoom meeting.
Course syllabus
Statistical Thermodynamics: the concepts. The need of a statistical description. Derivation of the Boltzmann distribution and partition function. Canonical ensemble, configurations and weights, a second derivation of Boltzmann distribution. Basic properties. Molecular Partition Function. Mechanical variables, internal energy and generalized forces. Simple examples. Entropy, temperature, Helmholtz free energy. Thermodynamic potentials. Gibbs energy and Gibbs-Duhem equation.
Statistical Thermodynamics: Applications. Statistical mechanics of molecules: translational, rotational, vibrational and electronic contributions to the molecular partition function. Mean energies, heat capacities, entropy. Real gases: configurational integral, virial expansion, van der Waals equation. Chemical equilibrium.
Crystalline Solids. Lattices, basis vectors and unit cells. Bravais lattices. Reciprocal lattice, lattice planes, Miller indices. Scanning Tunneling Microscopy, Atomic Force Microscopy, Transmission Electron Microscopy. X-ray diffraction: interference, diffraction, von Laue condition, structure factor. Bonding and packing in solids: metallic, ionic, covalent and molecular solids. 2D and 1D materials. Electronic structure of solids: band theory, group velocity, electron transport. Metals, semiconductors and insulators. Doping in semiconductors, p-n junctions. Optical properties: Drude's and Lorentz models, dielectric permittivity, wave propagation. Excitons and polarons in condensed phases.
Molecules in Motion. Maxwell-Boltzmann distribution, cross-section, collisional frequency, mean free path. Elementary transport coefficients: diffusion coefficient, thermal and electric conductivity. Partial equilibrium. State-to-state rate constants, canonical rate constants. Reaction dynamics: potential energy surfaces, reaction dynamics, minimum energy paths, transition state, energy partitioning. Transition state theory.
Statistical Thermodynamics: Applications. Statistical mechanics of molecules: translational, rotational, vibrational and electronic contributions to the molecular partition function. Mean energies, heat capacities, entropy. Real gases: configurational integral, virial expansion, van der Waals equation. Chemical equilibrium.
Crystalline Solids. Lattices, basis vectors and unit cells. Bravais lattices. Reciprocal lattice, lattice planes, Miller indices. Scanning Tunneling Microscopy, Atomic Force Microscopy, Transmission Electron Microscopy. X-ray diffraction: interference, diffraction, von Laue condition, structure factor. Bonding and packing in solids: metallic, ionic, covalent and molecular solids. 2D and 1D materials. Electronic structure of solids: band theory, group velocity, electron transport. Metals, semiconductors and insulators. Doping in semiconductors, p-n junctions. Optical properties: Drude's and Lorentz models, dielectric permittivity, wave propagation. Excitons and polarons in condensed phases.
Molecules in Motion. Maxwell-Boltzmann distribution, cross-section, collisional frequency, mean free path. Elementary transport coefficients: diffusion coefficient, thermal and electric conductivity. Partial equilibrium. State-to-state rate constants, canonical rate constants. Reaction dynamics: potential energy surfaces, reaction dynamics, minimum energy paths, transition state, energy partitioning. Transition state theory.
Prerequisites for admission
Basic knowledge of maths and physics, in particular math analysis, linear algebra and mechanics.
Teaching methods
The course consists of theoretical lectures and exercises. Lectures will be given with the help of presentation software and the slides will be made available to the students. Additional exercises will be provided upon request, aimed at the solution of typical exercises that may be found at the examination.
Teaching Resources
Textbook: P. W. Atkins, Physical Chemistry, Oxford University Press
Presentation slides can be download from the web, as detailed in the Ariel web page dedicated to the course (http://ariel.unimi.it/).
Presentation slides can be download from the web, as detailed in the Ariel web page dedicated to the course (http://ariel.unimi.it/).
Assessment methods and Criteria
La verifica dell'apprendimento avviene attraverso una prova scrita comprendente 4 domande a risposta aperta su tutti gli argomenti trattati nel corso, 8 domande a risposta multipla e 2 esercizi numerici di termodinamica statistica. Il tempo a disposizione (3 h) richiede risposte precise e puntuali. In sede di esame. agli studenti verrà fornito un formulario, il cui uso richiede la conoscenza degli argomenti trattati. Nel caso non fosse possibile lo svolgimento della prova in presenza, si utilizzerà la piattaforma exam.net con l'ausilio di un meeting Zoom.
Educational website(s)
Professor(s)