45381 - Kinetics

Learning outcomes

At the end of the course, the student will possess a solid understanding of classical chemical kinetics and will be able to describe motion in gas and liquid phases, including diffusive transport. They will know how to investigate classical kinetic schemes and formulate reaction rate laws, as well as handle complex kinetic schemes, including homogeneous and heterogeneous catalytic processes, surface reactions, and electrode processes. Furthermore, the student will be familiar with the fundamentals of statistical thermodynamics and some of its simple applications to thermodynamic systems at equilibrium.

Course contents

Chemical kinetics with elements of statistical thermodynamics:

Kinetic theory of gases. Distribution of molecular velocities. Medium free path and collision frequency. Diffusion and effusion.

Distribution of molecular energies. Equipartition of energies theorem. Boltzmannn distribution law of populations. Need for quantum mechanics in the treatment of molecular energies.

Transport properties of a perfect gas: diffusion, thermal conductivity, viscosity. Conductivity of electrolyte solutions. Infinite dilution conductivity. Law of independent migration. Ion mobility.

Introduction to reaction kinetics. Definition of reaction rate, order of reaction, molecularity, elementary processes, unit of measurement of kinetic constants.

Integration of kinetic equations (first, second order, case A + B-> C, order n) and their applications. half-life times, relationship between kinetics of elementary processes and stoichiometry.

Non-elementary kinetic processes, constructing their differential kinetic equations. Chemical equilibrium as a non-elementary process. Integration of kinetic equation systems.

Steady-state approximation. Consecutive kinetic equations illustrated by means of the analytical solution, of the stationary and numerical state.

Dependency of the reaction rate on temperature: Arrhenius equation.

Examples of complex reaction mechanisms:Lindelmann-Hinshelwood, Michaelis-Menten.

Phase transfer kinetics. Langmuir's equation. Determination of adsorption energy, life time on surfaces. Reactions in the presence of asorption: Langmuir-Hinshelwood mechanism.

Elements of statistical mechanics. Derivation of the Boltzmann Distribution Law. Probability and entropy. Gibbs' ensemble method. Calculation of internal energy. Partition functions and their connection with thermodynamic functions and chemical potential. Calculation of the equilibrium constant from the partition functions. Transition state theory.

Readings/Bibliography

P.W Atkins, J. De Paula, J. Keeler Chimica Fisica, VI ed. it., Zanichelli (2020)

Slides and lecture notes: Virtuale [https://virtuale.unibo.it/]

Teaching methods

The teaching consists of 6 credits of chemical kinetics with elements of statistical thermodynamics. Both modules include 1CFU of laboratory that will be carried out in part in the experimental Educational laboratory of Physical Chemistry and partly in the Computer Laboratory.

The lectures will be aimed at the theoretical understanding and practical use of tools to solve problems of chemical kinetics. The lessons will be accompanied by numerical exercises and laboratory activities that will provide students with the opportunity to face real problems both individually and in small groups.

In consideration of the types of activities and teaching methods adopted, the attendance of this training activity requires the performance of all the students of Modules 1 and 2 in e-learning mode and the participation in Module 3 of specific training on safety and health in places of study:

https://site.unibo.it/tutela-promozione-salute-sicurezza/it/corsi-di-formazione/formazione-obbligatoria-su-sicurezza-e-salute-per-svolgimento-di-tirocinio-tesi-laboratorio [http:]

Information on dates and methods of attendance of Module 2 can be consulted in the specific section of the degree program website.

Assessment methods

Two written tests that can be sustained in itinere or as partial tests at the end of the course. The proof consists of a theory question on the first part of the course and the resolution of a complex kinetic mechanism. The II test consists of open questions on the theory carried out in the second part of the course. To be admitted to the evaluation of the II test must have passed the I. The validity of the I test is six months, while if it is supported in itinere allows you to support the II trial by the summer session.

The final mark of the integrated course is defined as the weighted average of the marks reported in the two parts of the course.

Regarding the assessment of learning, the use of AI is strictly prohibited. Any such use constitutes a breach of academic integrity.

Students with learning disorders and\or temporary or permanent disabilities: please, contact the office responsible (https://site.unibo.it/studenti-con-disabilita-e-dsa/en/for-students) as soon as possible so that they can propose acceptable adjustments. The request for adaptation must be submitted in advance (15 days before the exam date) to the lecturer, who will assess the appropriateness of the adjustments, taking into account the teaching objectives.

Teaching tools

Blackboard, projector, educational laboratories (informatic and experimental)

Office hours

See the website of Sonia Melandri

See the website of Andrea Fiorani