65307 Physical Chemistry 1
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Subject handbook information prior to 2025 is available in the Archives.
Credit points: 6 cp
Result type: Grade and marks
Requisite(s): (65212 Chemistry 2 OR 65213 Chemistry 2 (Advanced)) AND (33190 Mathematical Modelling for Science OR 33130 Mathematics 1)
Description
This subject is designed to provide students with a working knowledge of chemical thermodynamics, optical spectroscopy, and chemical kinetics, which can then be applied to other subjects within the course. Students are introduced to fundamental concepts in these areas and learn how to apply their principles in problem-solving situations.
Subject learning objectives (SLOs)
Upon successful completion of this subject students should be able to:
| 1. | Account for the energy transformed in chemical reactions |
|---|---|
| 2. | Identify the driving force for all spontaneous processes and use it to predict the directions and extent of chemical reactions |
| 3. | Understand the concepts of thermodynamic vs. kinetic stability and use them to explain the existence of chemical species |
| 4. | Extend thermodynamic concepts to all chemical reactions, and be able to extract useful information from tabulated thermodynamic data |
| 5. | Understand and apply the fundamentals of spectroscopy and quantum mechanics |
| 6. | Demonstrate a knowledge of how chemical rate data is analysed and understood in terms of reaction mechanisms |
| 7. | Collect and analyse scientific data, and report results according to accepted professional conventions, with appropriate uints and uncertainties |
Course intended learning outcomes (CILOs)
This subject also contributes specifically to the development of following course intended learning outcomes:
- Demonstrate theoretical and technical knowledge of organic, inorganic, analytical, and physical chemistry and be able to explain specialised knowledge in one or more sub-disciplines. (1.1)
- Work autonomously or in teams to address workplace or community problems utilising best scientific practice, and to act safely and responsibly in chemistry laboratory and practical settings. (3.1)
- Effectively communicate concepts and scientific discovery in chemistry using different formats to present information in professional or public settings. (5.1)
Contribution to the development of graduate attributes
1. Discipline knowledge
In this subject, you will develop an understanding of the fundamental physical principles that underpin all chemistry. Essential for all students studying chemistry, this subject has a strong focus on discipline knowledge and the ability to apply it to all areas of chemistry.
3. Professional, ethical and social responsibility
The specific professional skills that this subject emphasises are the ability to collect and analyse data in specialised areas such as thermodynamics, kinetics, and spectroscopy using modern techniques such as spreadsheets and other software.
5. Communication
The ability to communicate findings to the scientific community is a fundamental professional skill for all scientists. The focus here is not so much on descriptive report-writing but on adherence to the widely-held conventions for the presentation of data (tabulated or plotted) in the specialised areas covered in the practical course. Student must demonstrate that they can present their data in a manner that is appropriately qualified by a reasonable estimate of its experimental uncertainty, and thus can be used by other professionals if required.
Teaching and learning strategies
Videos 2 hrs per week (9 weeks)
Videos will cover both fundamental discipline knowledge and provide additional information and general feedback (based on the assessment of early practical reports) to the class on data analysis and presentation skills for laboratory report writing. Canvas will be used to provide lecture notes, maths how-to guides and materials for report writing and data presentation. Students seeking help may interact with lecturers via the Discussion Board and/or via online ZOOM sessions to be held each week.
Practicals 8 x 3 hr sessions
Students will perform experiments in the main topic areas (spectroscopy, thermodynamics and kinetics). The laboratory sessions are designed to develop data collection and analysis skills that are individualised to each of these areas.
Attention to the detail of accurate and realistic measurements will be emphasised, along with guided reflection on the quality of the data being collected and the limitations of the experimental method being used.
Week 1 involves an introductory lab session with no experimentation. This is not for assessment, but attendance is required at it before attempting subsequent laboratory exercises. In Week 1, students will be instructed on report writing skills specific to physical chemistry, and will carry out a task based on these skills plus uncertainty analysis and the correct presentation of scientific results.
Workshops 4 x 2 hr sessions
Workshops provide an opportunity for students to develop complex problem-solving skills in a collaborative learning environment. Students will attempt problems individually before the relevant session, then work collaboratively in small groups to prepare solutions that will be presented to the class. Academic staff will provide personalised help and feedback to students.
Content (topics)
Chemical Thermodynamics
Definitions: System, processes, state functions, heat, work
First Law: Internal energy and work, constant volume processes, constant pressure processes, enthalpy, heat capacity,thermochemistry and calorimetry, temperature dependence of enthalpy.
Second Law: Direction of spontaneous processes, entropy, entropy change for system and surroundings, entropy of phase transitions, absolute entropies (Third Law).
Free Energy: Spontaneity and equilibrium: Gibbs Free energy, thermodynamic relationships, Gibbs-Helmholtz
equation, variation of G with pressure, free energy and phase changes, chemical potential, the equilibrium constant,
fugacity, activity, temperature dependence of K, coupling of chemical reactions, thermodynamics of mixing.
Spectroscopy and structure
Quantum theory:
wave nature of light (electromagnetic spectrum, diffraction);
particle nature of light (Planck equation, photoelectric effect);
wave-particle duality
quantum mechanical model (wavefunctions, Born interpretation, uncertainty principle, Schrodinger equation, particle in a box model, Boltzmann distribution)
Spectroscopy:
general features of spectroscopy (emission, absorption, scattering, intensities, linewidths)
rotational spectroscopy (energy levels, microwave spectroscopy, rotational Raman spectroscopy);
vibrational spectroscopy (harmonic oscillator model, energy levels, infrared spectroscopy, normal modes, vibrational Raman spectroscopy, vibration-rotation spectra)
Kinetics
Revision: rates, rate laws and stoichiometry, reaction orders, rate constants, half-lives, Arrhenius equation
Experimental techniques
Integrated rate laws:first order, second order, two-reactant integrated rate laws
Kinetic analysis methods:gas phase reaction schemes, fractional life methods
Reaction mechanisms:rate-determining steps, catalysis, inhibition
Dependence on temperature: activation parameters, reaction profiles, multi-step reactions
Assessment
Assessment task 1: Practical
| Intent: | This assessment task contributes to the development of the following graduate attributes: 1. Disciplinary knowledge |
|---|---|
| Objective(s): | This assessment task addresses subject learning objective(s): 1, 2, 3, 4, 5, 6 and 7 This assessment task contributes to the development of course intended learning outcome(s): 1.1, 3.1 and 5.1 |
| Type: | Report |
| Groupwork: | Group, individually assessed |
| Weight: | 40% |
| Criteria: | Students will be assessed on the quality of their data (SLO 7, CILO 3), appropriate presentation and analysis of results (SLO 7, CILO 3 and 5), accuracy of calculations (SLO 7, CILO 3), and correct responses to questions (SLO 1-6, CILO 1). |
Assessment task 2: Mid-session quiz
| Intent: | This assessment task contributes to the development of the following graduate attributes: 1. Disciplinary knowledge |
|---|---|
| Objective(s): | This assessment task addresses subject learning objective(s): 1, 2, 3, 4, 5 and 6 This assessment task contributes to the development of course intended learning outcome(s): 1.1 |
| Type: | Quiz/test |
| Groupwork: | Individual |
| Weight: | 30% |
| Criteria: | Demonstrate knowledge and understanding of theory in thermodynamics and spectroscopy, and the ability to solve problems in these areas (SLO 1-6, CILO 1). |
Assessment task 3: End-session quiz
| Intent: | This assessment task contributes to the development of the following graduate attributes: 1. Disciplinary knowledge |
|---|---|
| Objective(s): | This assessment task addresses subject learning objective(s): 1, 2, 3 and 6 This assessment task contributes to the development of course intended learning outcome(s): 1.1 |
| Type: | Quiz/test |
| Groupwork: | Individual |
| Weight: | 30% |
| Criteria: | Students will be assessed on correct responses to questions and accuracy of calculations (SLO1-6, CILO 1). |
Recommended texts
P. W. Atkins and Julio de Paula, Elements of Physical Chemistry 7th Edn, Oxford University Press, 2017.
References
A. G. Whittaker. A. R. Mount, M. R. Heal, Instant Notes: Physical Chemistry, BIOS, 2000.
P. W. Atkins, Julio de Paula and James Keeler, Atkins’ Physical Chemistry 11th Edn, Oxford University Press, 2017.
G. Aylward, T. Findlay, SI Chemical Data 7th Edn, Wiley, 2014.
Raymond Chang, Physical Chemistry for the Chemical and Biological Sciences 3rd Edn, University Science Books, 2000.
K. J. Laidler, J. H. Meiser, B. C. Sanctuary, Physical Chemistry 4th Edn, Houghton Mifflin, 2003.
A. M. Halpern, Experimental Physical Chemistry: A Laboratory Notebook 2nd Edn, Prentice Hall, 1997.
B. G. Cox, Modern Liquid Phase Kinetics (Oxford Chemistry Primers 21), Oxford University Press, 1994.
Paul M. S. Monk, Physical Chemistry: understanding our chemical world, Wiley, 2004.