CHY3201 : Advanced Physical Chemistry
- Offered for Year: 2017/18
- Module Leader(s): Dr Ben Horrocks
- Lecturer: Dr Fabio Cucinotta, Dr Agnieszka Bronowska
- Owning School: Natural and Environmental Sciences
- Teaching Location: Newcastle City Campus
Semester 1 Credit Value:
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 practise and develop skills in molecular modelling.
Outline Of Syllabus
Energetics and Dynamics
Dr F Cuccinotta
1 Molecular photophysics
2 Potential energy surfaces
3 Radiative decay
4 Nonradiative processes
5 Energy-gap law
7-8 Energy transfer
9 Spin restriction
10-11 Marcus theory
12 Revision seminar
Dr A Bronowska
1 Introduction to molecular nergeti: types, scope, limitations
2 Molecular force fields: theoretical basis, construction, examples, applications, limitations
3 Some quantum concepts: Molecular Orbitals (Mos) and LCAO; self-consistency
4 Semi-empirical methods: PM3, AM1
5 Basis functions: building accurate descriptions of Mos.
6 Ab initio quantum chemistry: Hartree Fock and Density functional theories
7 Ab initio quantum chemistry in practice: examples.
8 Revision Seminar
Dr BR Horrocks
1 Introduction to Chemical Nanoscience
2-3 Nanomaterials – an overview. Dimensionality, fabrication/synthesis, electronic structure
4 quantum Confinement
5-6 Scanning Probe Microscopies
7 Spectroscopic methods for surfaces analysis
8-10 Nanoparticles, nanowires/tubes and nanoscale films
11 Application of nanomaterials
12 Revision session
|Guided Independent Study||Assessment preparation and completion||3||5:00||15:00||Writing up dry lab reports|
|Guided Independent Study||Assessment preparation and completion||32||0:50||26:40||Revision for end of semester examination|
|Guided Independent Study||Assessment preparation and completion||1||2:00||2:00||End of semester examination|
|Scheduled Learning And Teaching Activities||Lecture||32||1:00||32:00||N/A|
|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||115:20||115:20||Background reading and practice past paper examination questions|
Jointly Taught With
|CHY3206||Advanced Physical Chemistry|
Teaching Rationale And Relationship
Students acquire knowledge and understanding through lectures, seminars and dry labs. They learn to plan and organise their work with the lectures provide the necessary opportunity to practice note-taking.
The format of resits will be determined by the Board of Examiners
|CHY3206||Advanced Physical Chemistry||1||N/A|
|Practical/lab report||1||M||30||Class test on dry labs|
Assessment Rationale And Relationship
The examination will test the student's knowledge and understanding of the principles of physical chemistry.
The modelling component is examined by practical write-ups and the knowledge outcomes by unseen class test (45 min).
Study Abroad students may request to take their exam before the semester 1 exam period, in which case the format of the paper may differ from that shown in the MOF. Study Abroad students should contact the school to discuss this.