2020/21 Undergraduate Module Catalogue
CHEM3222 Chemistry at the Molecular Level
10 creditsClass Size: 180
Module manager: Dr S Auer
Email: s.auer@leeds.ac.uk
Taught: Semester 2 (Jan to Jun) View Timetable
Year running 2020/21
Pre-requisite qualifications
Level 2 in a Chemistry programme or equivalentThis module is not approved as a discovery module
Objectives
On completion of this module, students should be able to:(i) Describe the energy level structure within molecules for rotational and vibrational motion, and how molecular parameters (bond lengths, force constants) can be obtained from analysis of spectroscopic experiments.
(ii) Describe the distribution of population amongst energy levels and calculate partition functions for translational, rotational and vibrational motion
(iii) Apply statistical mechanics to the calculation of thermodynamic properties of gases, liquids and solids (heat capacitites, equilibrium constants)
(iv) Describe theoretical approaches to reaction kinetics, understand the links between thermodynamics and kinetics, and calculate rate coefficients using transition state theory (TST) and describe other applications of TST
(v) 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)
(vi) Describe the kinetics of surface reactions and the applications of heterogeneous catalysis in the chemical industry
(vii) Describe other applications of kinetics
Syllabus
Statistical Thermodynamics: Concept and applications
Lecture 1. Introduction and revision on classical thermodynamic
Lecture 2. The statistical approach to thermodynamics
Lecture 3. Thermodynamic properties and the system partition function
Lecture 4. The molecular partition function
Lecture 5. Contributions to the partition function
Lecture 6. Internal energy and head capacity
Lecture 7. Entropy
Lecture 8. Chemical reactions and equilibrium constants
Lecture 9 and 10. Summary and perspective
Reaction Kinetics
Lecture 1. Potential energy surfaces and evidence for the transition state
Lecture 2. Transition state theory and formulation using statistical mechanics
Lecture 3. Calculation of rate coefficients using TST
Lecture 4. State-selective kinetics, energy disposal and its measurement, chemical lasers
Lecture 5. Examples of energy disposal, reactions with early or late barriers
Lecture 6. Barrierless reactions
Lecture 7. Kinetics of surface reactions, Langmuir adsorption isotherm
Lecture 8. Mechanisms of surface reactions
Lecture 9. TST for surface reactions, surface dynamics
Lectures 10. Course Summary
Teaching methods
| Delivery type | Number | Length hours | Student hours |
| Example Class | 11 | 1.00 | 11.00 |
| Lecture | 22 | 1.00 | 22.00 |
| Tutorial | 2 | 1.00 | 2.00 |
| Private study hours | 65.00 | ||
| Total Contact hours | 35.00 | ||
| Total hours (100hr per 10 credits) | 100.00 | ||
Private study
33 hours- reading for lectures12 hours - preparation for tutorials
20 hours - preparation for examination.
Opportunities for Formative Feedback
Formative exercises for workshops, and regularly-spaced online quizzes.Methods of assessment
Coursework
| Assessment type | Notes | % of formal assessment |
| Assignment | Coursework mid-term assessment | 15.00 |
| Total percentage (Assessment Coursework) | 15.00 | |
Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated
Exams
| Exam type | Exam duration | % of formal assessment |
| Online Time-Limited assessment | 48 hr 00 mins | 85.00 |
| Total percentage (Assessment Exams) | 85.00 | |
Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated
Reading list
The reading list is available from the Library websiteLast updated: 07/08/2020 18:22:56
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