Physical Chemistry Iii
A.Y. 2018/2019
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
Mastering basic thermodynamics and molecular computation of thermodynamic properties. 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
Course syllabus
Goals
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.
Acquired skills
Mastering basic thermodynamics and molecular computation of thermodynamic properties. Knowledge of the matter at the solid state, its structure and its properties.
Course content
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. Dynamics: potential energy surfaces, reaction dynamics, minimum energy paths, transition state, energy partitioning. Transition state theory.
Suggested prerequisites
Basic math courses.
Reference material
P. W. Atkins, Physical Chemistry, Oxford University Press
Prerequisites
Physical Chemistry I and II.
Assessment method
The examination is written, 3 hours long, and consists of two open questions on topics discussed in classroom lectures, and two exercises aimed at establishing the degree of understanding of the course. The student is given with a short formulary, whose use requires though some knowledge of the topics addressed.
Language of instruction [required]
Italian
Attendance Policy:
Strongly recommended
Mode of teaching:
The course is organized as a series of lectures with the aid of a PP presentation and on blackboard for in-depth analysis. The .pdf print of the PP presentation is part of the auxiliary material made available to the students
Website:
Students can download the .pdf file of the lectures from the web, as indicated in the web Ariel page dedicated to the course.
Other information:
Teacher is always available for any explanation upon fixing an appointment via email.
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.
Acquired skills
Mastering basic thermodynamics and molecular computation of thermodynamic properties. Knowledge of the matter at the solid state, its structure and its properties.
Course content
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. Dynamics: potential energy surfaces, reaction dynamics, minimum energy paths, transition state, energy partitioning. Transition state theory.
Suggested prerequisites
Basic math courses.
Reference material
P. W. Atkins, Physical Chemistry, Oxford University Press
Prerequisites
Physical Chemistry I and II.
Assessment method
The examination is written, 3 hours long, and consists of two open questions on topics discussed in classroom lectures, and two exercises aimed at establishing the degree of understanding of the course. The student is given with a short formulary, whose use requires though some knowledge of the topics addressed.
Language of instruction [required]
Italian
Attendance Policy:
Strongly recommended
Mode of teaching:
The course is organized as a series of lectures with the aid of a PP presentation and on blackboard for in-depth analysis. The .pdf print of the PP presentation is part of the auxiliary material made available to the students
Website:
Students can download the .pdf file of the lectures from the web, as indicated in the web Ariel page dedicated to the course.
Other information:
Teacher is always available for any explanation upon fixing an appointment via email.
Website
Professor(s)