CHEM3007 The Chemistry of Reactions
- 6 points
Availability Location Mode Semester 2 UWA (Perth) Face to face
- Details for undergraduate courses
- The area of knowledge for this unit is Mathematical and Physical Sciences
- Category B broadening unit for students
- Level 3 elective
- This unit covers several topics all related to the understanding the underlying reasons for why chemical reactions and interactions occur, from a molecular quantum mechanical point of view. The topics (with approximate number of lectures in brackets) are as follows:
- Quantum chemistry: concepts (5). molecular orbitals, Hartree-Fock, density functional theory, and Wavefunction methods. Visualization: isosurfaces, decorated isosurfaces, electrostatic potentials, frontier orbitals, Woodward-Hoffman rules, bond orders.
- Quantum chemistry: practicalities (4). Accuracy of methods for calculating frequencies, dissociation energies, barrier heights, and intermolecular interaction energies. Artificial intelligence (AI) methods.
- Chemistry of power generation (7). Band structure and Bloch orbitals. Semiconductors and computer chips. Doped materials. Sustainability considerations. Solar cells: the various types. Electrochemistry: Butler-Volmer equation, Tafel plots, and corrosion. Pourbaix diagrams and speciation.
- Earth chemistry (3). Origin of the oceans and atmosphere, and the role of life. Atmospheric energy balance, the ozone layer, and the carbon cycle.
- Crystal engineering (5). Unit cells and Miller indices. Diffraction and Bragg's law. X-ray, neutron and electron diffraction. Synchrotrons. Symmetry and spacegroups. Solving a crystal structure. Molecular packing: synthons. Crystals under pressure: polymorphism and drugs.
- Students are able to (1) demonstrate a conceptual understanding of how electrons behave in molecules, solids, and at solid liquid interfaces, and how they electrons drive chemical reactions to occur in the different cases.; (2) succinctly describe how quantum mechanical methods work, including a knowledge of how to choose basis sets and method to calculate various properties to a given accuracy
; (3) apply practical experience in using modern quantum chemical software to do chemical calculations
; (4) describe how solar cells and fuel cells work, and an ability to describe different types of solar cells
; (5) apply practical experience in solving a crystal structure using modern software
; (6) construct simple Pourbaix diagrams, and use them to predict species stability in solution
; (7) describe the processes by which the Earth, its oceans, and atmosphere, have come to be over time
; and (8) describe what a crystal is, and how it may be characterised experimentally.
- Indicative assessments in this unit are as follows: (1) final examination; (2) ongoing assessment of four modules; and (3) six laboratory sessions. Further information is available in the unit outline.
Supplementary assessment is not available in this unit except in the case of a bachelor's pass degree student who has obtained a mark of 45 to 49 overall and is currently enrolled in this unit, and it is the only remaining unit that the student must pass in order to complete their course.
- Unit Coordinator(s)
- Associate Professor Dylan Jayatilaka
- Unit rules
- Contact hours
- lectures: 2 hours per week; laboratories: 36 hours total in blocks of 6 hours; tutorials: 1 hour per week
Atkins, P. W. Atkins’ Physical Chemistry, 10th edn: Oxford University Press (chapters 7, 10, 15 and 21)
- The availability of units in Semester 1, 2, etc. was correct at the time of publication but may be subject to change.
- All students are responsible for identifying when they need assistance to improve their academic learning, research, English language and numeracy skills; seeking out the services and resources available to help them; and applying what they learn. Students are encouraged to register for free online support through GETSmart; to help themselves to the extensive range of resources on UWA's STUDYSmarter website; and to participate in WRITESmart and (ma+hs)Smart drop-ins and workshops.
- Books and other material wherever listed may be subject to change. Book lists relating to 'Preliminary reading', 'Recommended reading' and 'Textbooks' are, in most cases, available at the University Co-operative Bookshop (from early January) and appropriate administrative offices for students to consult. Where texts are listed in the unit description above, an asterisk (*) indicates that the book is available in paperback.