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SUBJECT OUTLINE 65307 Physical Chemistry 1 Course area

UTS: Science

Delivery

Autumn 2020; City

Credit points 6cp Requisite(s)

(65212 Chemistry 2 OR 65213 Chemistry 2 (Advanced)) AND (33190 Mathematical Modelling for Science OR 33130 Mathematical Modelling 1)

Result type

Grade and marks

Attendance: 4.5hpw

Subject coordinator Name: Brian Reedy Phone: 9514 1709 Room: CB04.05.339 Email: [email protected]

Teaching staff Name: Louise Evans (Kinetics) Phone: 9514 1727 Room: CB04.05.335 Email: [email protected] Name: Barbara Stuart (Spectroscopy) Phone: 9514 1790 Room: CB04.05.336 Email: [email protected]

Subject 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

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Course intended learning outcomes (CILOs) This subject also contributes specifically to the development of following course intended learning outcomes: Analyse: Examine and combine knowledge of organic, inorganic, analytical, and physical chemistry. (1.2) Apply: Act safely and responsibly in laboratory and practical settings. (3.1) Analyse: Organise and manage a project using time management and collaborative skills. (3.2) Synthesise: Develop collaborative skills for effective, ethical, and socially responsible contributions to society. (3.3) Apply: Effectively communicate scientific discovery in professional fora through oral presentation and written reports. (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 Lectures 2 hrs per week (11 weeks) Lectures 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. UTSOnline will be used to provide lecture notes, maths how-to guides and materials for report writing and data presentation. Students will also interact with lecturers via the Discussion Board. Practicals 5 x 3 hr sessions + 2 hr intro session in Week 2 on prac report expectations 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. In the introductory lab session, students will be instructed on report writing skills specific to physical chemistry, and will carry out a low stakes assessment task based on these skills plus uncertainty analysis and the correct presentation of scientific results. Tutorials 5 x 2 hr sessions Tutorials provide an opportunity for students to develop complex problem-solving skills in a collaborative learning environment. Students will attempt tutorial problems individually before the relevant session, then work collaboratively in small groups to prepare solutions that will be presented to the class and assessed. Academic staff will provide personalised help and feedback to students during the tutorial classes.

Content (topics) Chemical Thermodynamics 26/02/2020 (Autumn 2020)

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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

Program Week/Session

Dates

Description

1

9-13 Mar 2020

Lecture 1: Intro Lecture 2: Intro/Th1 Notes: No prac classes

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2

16-18 Mar 2020

Lecture 1: Th1 Lecture 2: S1 Notes: Prac Intro (compulsory)

3

23-27 Mar 2020

Lecture 1: Th2 Lecture 2: S2 Notes: Practical

4

30 Mar - 3 Apr 2020

Lecture 1: Th3 Lecture 2: S3 Notes: Practical

5

6-10 Apr 2020

Lecture 1: Th4 Lecture 2: S4 Notes: Tutorial

6

13-17 Apr 2020

Lecture 1: Th5 Lecture 2: Th6 Notes: Tutorial

STUVAC

20-24 Apr 2020

No classes

7

27 Apr - 1 May 2020

Lecture 1: Exam 1A (Spectro, Thermo) Lecture 2: Th7 Notes: Practical

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8

4-8 May 2020

Lecture 1: Exam 1B (Spectro, Thermo) Lecture 2: K1 Notes: Practical

9

11-15 May 2020

Lecture 1: Th8 Lecture 2: K2 Notes: Practical

10

18-22 May 2020

Lecture 1: Th9 Lecture 2: K3 Notes: Tutorial

11

25-29 May 2020

Lecture 1: Th10 Lecture 2: K4 Notes: Tutorial

12

1-5 Jun 2020

Lecture 1: Th Revision Lecture 2: Revision Notes: Tutorial

In the program above, the Description gives the lecture schedule (Th = thermo, S = spectro, K = kinetics) and the Notes area shows the scheduling of tutorials and practicals. This program is subject to change during the session.

Additional information If a student misses a practical class (with or without a medical certificate etc), arrangements will generally be made for a make-up experiment to be conducted later in the semester. Laboratory experiments are generally conducted in groups of two or three (each student will have a designated partner or partners) BUT all reports must be the individual student's own work. Each student must submit his/her own report; the only common content between practical partners that is permitted in reports is results and in-lab analysis (if any).

Assessment Assessment task 1: Practical

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Intent:

This assessment task contributes to the development of the following graduate attributes: 1. Disciplinary knowledge 3. Professional, ethical and social responsibility 5. Communication

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): 1.2, 3.1, 3.2, 3.3 and 5.1 Groupwork: Individual Weight:

30%

Task:

In the introductory session, students will carry out simple low stakes assessment tasks to practice uncertainty analysis and distinguish good and bad report-writing practices. Over the rest of the semester (five weeks), students will conduct experiments in thermodynamics, kinetics and vibrational spectroscopy, with an emphasis on the measurement of precise data with realistic uncertainties, as well as understanding the relevant theory.. A pro-forma or written report will be prepared for each experiment.

Due:

at dates to be set by coordinator

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).

Further The Introductory practical session on 19 March 2020 is compulsory and an assessment task worth information: half the value of one experimental report will be carried out. All practical reports making use of published materials should be properly referenced and with a properly completed bibliography. Complete guidelines and expectations for the completion of practical reports will be given in the abovementioned introductory session.

Assessment task 2: Collaborative problem solving exercises Intent:

This assessment task contributes to the development of the following graduate attributes: 1. Disciplinary knowledge 5. Communication

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): 1.2 and 5.1 Groupwork: Individual Weight:

10%

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Task:

For a typical tutorial session, students will be allocated (in advance) problems from a tutorial set and asked to attempt these individually before attending the session. During the session, students will work in small groups to solve their allocated problems and present these to the class. Non-attendance (or non-participation) at/in a session will result in a mark of zero for that session.

Due:

In class in various weeks - see subject schedule for details.

Criteria:

Students will be assessed on their problem solving methodology and ability to communicate this, accuracy of calculations and collaborative skills (SLO 1-6, CILO 1 and 5).

Assessment task 3: 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 and 5 This assessment task contributes to the development of course intended learning outcome(s): 1.2 Groupwork:

Individual

Weight:

30%

Task:

Demonstrate knowledge and understanding of theory in thermodynamics, spectroscopy and kinetics, and ability to solve problems in these areas.

Due:

Week 7 to Week 8 This assessment will occur in lectures during the specified weeks.

Criteria:

Students will be assessed on correct responses to questions and accuracy of calculations (SLO1-6, CILO 1).

Assessment task 4: Examination 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): 2, 3, 4 and 6 This assessment task contributes to the development of course intended learning outcome(s): 1.2

Groupwork:

Individual

Weight:

30%

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Criteria:

Students will be assessed on correct responses to questions and accuracy of calculations (SLO1-6, CILO 1).

Examination material or equipment The exam is restricted open book.

Minimum requirements Students are expected to attend all lectures and must attend all of the practical sessions. Students who do not attend at least 80% of the main (3-hour) practical classes may not be eligible to pass this subject. If a student misses a practical session for whatever reason, it is expected that the missed experimental work will generally be carried out in a later session where possible. In order to pass this subject, students must receive at least 40% of the marks available for Assessment Tasks 3 (mid-session quiz) and 4 (examination) combined. They must also achieve a satisfactory result (>50%) in the practical component of the subject. A failure to meet either of these criteria (even if the total mark is over 50%) will result in the award of an X grade (fail).

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 and Julio de Paula, Atkins’ Physical Chemistry 10th Edn, Oxford University Press, 2014. 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.

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material in your study or research without their permission and free of charge. This applies to any sort of published or unpublished work, and includes written material, tables and compilations, designs, drawings (including maps and plans), paintings, photographs, sculpture, craft work, films (such as feature films, television programs, commercials and computer video games), software (such as computer programs and databases), sound recordings, performances and broadcasts (including podcasts and vodcasts of these) and text, including books, journals, websites, emails and other electronic messages. It is important to remember that you can only use a limited amount for your study or research purposes and that you need to correctly acknowledge the author and reference their material when you use it in your work. Incorrect or improper use of copyright protected material could result in breaking Australian copyright law, for which significant penalties apply. Incorrect or improper use of copyright protected material at UTS would result in consideration under the UTS Student Misconduct rules. UTS Rules and the UTS Student Charter require that students familiarise themselves and comply with UTS student policies and procedures. Student should also see the copyright information advising what you can copy and how much you can use. Copyright notice concerning teaching materials Please remember that teaching materials and resources provided to you at UTS are protected by copyright. You are not permitted to re-use those for commercial purposes (including in kind benefit or gain) without permission of the copyright owner. Improper or illegal use of teaching materials may lead to prosecution for copyright infringement.

Statement on plagiarism The University and Faculty of Science encourage students to undertake their academic studies with the highest integrity and take seriously any instances of student misconduct. Student misconduct as defined by Rule 16.2 can include cheating (examples of which may be in formal or informal examinations, copying ...