Module manager: Dr Stefan Auer
Email: s.auer@leeds.ac.uk
Taught: Semester 1 (Sep to Jan) View Timetable
Year running 2024/25
Level 2 in a Chemistry programme or equivalent
CHEM3222
This module is not approved as a discovery module
The module aims to provide students with an understanding of the fundamental aspects of physical chemistry through the study of classical thermodynamics, statistical thermodynamics and kinetics.
To provide students with an understanding of the fundamental aspects of physical chemistry through the study of classical thermodynamics, statistical thermodynamics and kinetics.
On completion of this module, students should be able to:
1. Demonstrate an understanding of the thermodynamic concepts and properties that are most relevant for chemists;
2. Understand the use of chemical potential as a general criterion for phase and chemical equilibrium and be able to calculate the composition of equilibrium mixtures under ideal and non-ideal thermodynamic conditions.
3. describe the distribution of population amongst energy levels and calculate partition functions for translational, rotational and vibrational motion;
4. apply statistical mechanics to the calculation of thermodynamic properties of gases (heat capacities, equilibrium constants);
5. describe theoretical approaches to reaction kinetics, understand the links between thermodynamics and kinetics, and calculate rate coefficients using transition state theory (TST);
6. describe the link between thermal and microscopic rate coefficients, the partitioning of reaction enthalpy into the products of exothermic reactions (and how this is measured), and features of the potential energy surface that control energy disposal (reaction dynamics);
7. describe other applications of kinetics.
Classical Thermodynamics
Origin and relevance, first and second law, Helmholtz and Gibbs energy, thermodynamics master equation
Statistical Mechanics
The statistical approach; Thermodynamic properties and the system partition function; The molecular partition function; Contributions to the partition function; Internal energy and heat capacity; Entropy; Chemical equilibrium
Reaction Kinetics
Potential energy surfaces and evidence for the transition state, Transition state theory and formulation using statistical mechanics, Calculation of rate coefficients using TST; State-selective kinetics, energy disposal and its measurement, chemical lasers; Examples of energy disposal, reaction trajectories containing early and late barriers; Reaction dynamics.
| Delivery type | Number | Length hours | Student hours |
|---|---|---|---|
| Workshop | 5 | 1 | 5 |
| Lecture | 20 | 1 | 20 |
| Private study hours | 75 | ||
| Total Contact hours | 25 | ||
| Total hours (100hr per 10 credits) | 100 | ||
89 hours – watching screencasts, reading, creating and revising notes, preparation for workshops and examination
Workshops will be interactive with constant feedback available, model solutions will be provided. Online quizzes will provide further formative feedback.
| Exam type | Exam duration | % of formal assessment |
|---|---|---|
| Open Book exam | 2.0 Hrs 0 Mins | 100 |
| Total percentage (Assessment Exams) | 100 | |
Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated
There is no reading list for this module
Last updated: 4/29/2024
Errors, omissions, failed links etc should be notified to the Catalogue Team