# 2019/20 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 View Timetable

**Year running** 2019/20

### Pre-requisite qualifications

Level 2 in a Chemistry programme or equivalent**This 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

Progress monitored through attendance and completion of work for tutorials and examples classes.### Methods of assessment

**Coursework**

Assessment type | Notes | % of formal assessment |

Computer Exercise | Online revision quiz of course material | 10.00 |

In-course Assessment | Assessed tutorial work | 20.00 |

Total percentage (Assessment Coursework) | 30.00 |

Normally resits will be assessed by the same methodology as the first attempt, unless otherwise stated

**Exams**

Exam type | Exam duration | % of formal assessment |

Standard exam (closed essays, MCQs etc) | 2 hr 00 mins | 70.00 |

Total percentage (Assessment Exams) | 70.00 |

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: 30/01/2019

## Browse Other Catalogues

- Undergraduate module catalogue
- Taught Postgraduate module catalogue
- Undergraduate programme catalogue
- Taught Postgraduate programme catalogue

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