CHY3210 : Physical and Computational Chemistry
- Offered for Year: 2022/23
- Module Leader(s): Dr Ben Horrocks
- Lecturer: Dr Fabio Cucinotta, Professor Thomas Penfold
- Owning School: Natural and Environmental Sciences
- Teaching Location: Newcastle City Campus
Semesters
| Semester 1 Credit Value: | 10 |
| Semester 2 Credit Value: | 10 |
| ECTS Credits: | 10.0 |
Aims
To explain the energetics and dynamics of chemical reactions in terms of detailed molecular behaviour; to provide an understanding of chemical nanoscience, and to review selected advanced experimental techniques. To develop and apply skills in molecular modelling.
Examples of modern applications of these principles to energy conversion and storage, chemical sensing and electronics will be discussed.
Outline Of Syllabus
Energetics and Dynamics
Excited states in chemistry
Molecular dynamics in energy conversion
Radiative and non-radiative phenomena
Energy transfer
Photochemical vs. thermal reactions
Molecular Modelling
Introduction to molecular modelling;
Quantum concepts and basis functions;
Theory and applications of ab initio quantum chemistry
Theory and applications of molecular mechanics
Chemical Nanoscience
Introduction to Chemical Nanoscience
Electronic structure of solids – tight binding and nearly-free electrons
Nanoparticles and Quantum dots – properties and synthesis
Applications of nanoparticles
Conductance in solids
Nanowires – properties and synthesis
Electron and probe microscopy
Teaching Methods
Teaching Activities
| Category | Activity | Number | Length | Student Hours | Comment |
|---|---|---|---|---|---|
| Scheduled Learning And Teaching Activities | Lecture | 36 | 1:00 | 36:00 | Lectures in-person by default |
| Guided Independent Study | Assessment preparation and completion | 1 | 1:30 | 1:30 | Module Examination - Semester 2 |
| Guided Independent Study | Assessment preparation and completion | 18 | 0:50 | 15:00 | Revision for summative examination |
| Guided Independent Study | Assessment preparation and completion | 1 | 1:00 | 1:00 | Examination on molecular modelling component |
| Guided Independent Study | Assessment preparation and completion | 3 | 5:00 | 15:00 | Writing up of dry lab reports |
| Scheduled Learning And Teaching Activities | Practical | 3 | 3:00 | 9:00 | 3x3h Dry labs take place over 3 weeks |
| Guided Independent Study | Independent study | 1 | 113:30 | 113:30 | Background reading and practice past paper examination questions |
| Guided Independent Study | Independent study | 18 | 0:30 | 9:00 | Revision for end of module examination |
| Total | 200:00 |
Jointly Taught With
| Code | Title |
|---|---|
| CHY8841 | Contemporary Inorganic and Physical Chemistry |
Teaching Rationale And Relationship
Students acquire knowledge and understanding through lectures, drylabs and seminars (timetabled in lecture slots). They learn to plan and organise their work by way of seminars while the lectures provide the necessary opportunity to practice note-taking.
Assessment Methods
The format of resits will be determined by the Board of Examiners
Exams
| Description | Length | Semester | When Set | Percentage | Comment |
|---|---|---|---|---|---|
| Written Examination | 90 | 2 | A | 65 | End of module examination |
| Written Examination | 60 | 1 | A | 35 | Examination on molecular modelling |
Assessment Rationale And Relationship
The summative written examination will assess the level of knowledge and understanding of all aspects of the module. The examination will present students with questions from a selection of topics learnt throughout semester 1 and 2 module content.
Reading Lists
Timetable
- Timetable Website: www.ncl.ac.uk/timetable/
- CHY3210's Timetable