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TITLE OF COURSE: SPECIAL TOPICS IN PHYSICAL CHEMISTRY (CHEM313) CATEGORY: JUNIOR LAHORE UNIVERSITY OF MANAGEMENT SCIENCES SCHOOL OF SCIENCE AND ENGINEERING CREDITS: 3 Spring 2011 INSTRUCTOR: DR. HABIB UR REHMAN ([email protected]) PRE-REQUISITES: CHEM101 and CHEM211 AIM: This course is designed to further develop core concepts in physical chemistry by building upon the fundamentals of first and second-year courses. The course extends the understanding of these core concepts to the areas of spectroscopy, chemical kinetics and statistical thermodynamics SUMMARY OF CONTENT: The course will cover the following topics with main emphasis on the underlying concepts and their applications: Spectroscopy: rotational, vibrational and Raman spectroscopy; rigid and non-rigid rotors; spectral intensities, harmonic, anharmonic oscillator; vibration rotation spectra; selection rules; overtones and combination frequencies; Chemical kinetics: Rate of reaction, order of simple and complex reaction, temperature dependence of reactions, activation energy, enzyme catalyzed reaction. Statistical thermodynamics: Boltzmann distribution, calculations of thermodynamic properties, ensembles and partition functions and most probable distribution, entropy and probability METHODS OF ASSESSMENT: FINAL EXAM YES MID-TERM EXAM YES QUIZZES YES Assignments YES Weighting Final Exam 40 Mid-Terms 30 Assignments 15 Quizzes 15 STUDENT WORKLOAD (1 credit = 9 lectures or 30 student work hours) DISTRIBUTION OF WORK HOURS Lectures 30 Assignments 20 Examinations 5 General Reading 35 Total Hours: 90 hours 1 1 INTRODUCTION This course covers a number of key areas in physical chemistry, which are of importance for both academic and applied work. 2 TEACHING OBJECTIVES AND LEARNING OUTCOMES 2.1 Teaching Objectives: The aims of the course are to: a) Broaden and deepen the overall knowledge of physical chemistry b) Specifically increase the understanding of the basic concepts in spectroscopy, chemical kinetics and statistical thermodynamics c) Increase the capability to successfully apply the acquired knowledge to solve practical problems d) Enhance analytical skills in problem solving capabilities 2.2 Learning Outcomes: On completion of the course students should be able to demonstrate: Clear understanding and mental picture of principles and processes of molecular spectroscopy and derivation of molecular quantities from spectroscopic data. The successful application of chemical kinetics to determine the rate and order of a reaction, activation energy of a reaction and mechanism of a reaction. Successfully to relate the canonical partition functions to the molecular partition function To calculate partition functions and derive thermodynamic quantities from energy level data. 3 TEACHING AND LEARNING ARRANGEMENTS 3.1 Course Structure: This course will be covered in two weekly lectures of 75 min. Exact schedule of each of these lectures would be announced before the commencement of the term. It is important to appreciate that learning opportunities are not limited to formal lectures and coursework sessions. In particular, independent reading and study play an important part in learning. The recommended texts only provide an overview of the material covered in the lecture. They do not cover the required topics in good enough detail. More specific texts are listed as additional texts at the end. 3.2 Assessment There will be class quizzes and homework assignments on week-to-week basis. There will be additional class assignments along with a mid-term exam and final exam. Class quizzes will be taken as and when the instructor wishes to do so. Each homework assignment will involve class-based exercises and key reading. Details of the class assignments will be provided in a separate handout. All class assignments must be worked out and submitted according to the specific directions and requirements of the instructor. 3.3 Policies and Procedures: 2 1) All mobile phones or other electronic devices that may cause disruption must be switched off during lectures. 2) Late arrivals disturb the classroom atmosphere therefore students are expected to arrive on time in the class and anyone arriving 10 minutes after the commencement of the lecture time may not be allowed in. 3) Homework and class assignments will have a due date on them. Late assignments submissions will receive no credit. 3.4 Staff The course leader is Dr Habib ur Rehman He can be contacted by email at [email protected] or in person at room no 2nd floor, SSE block. General administrative inquiries should be made to the SSE Student Office. 4 PROGRAMME OF LECTURES Week Week 1-5 Week 6 -10 Week 9 - 16 5 5.1 Topic Spectroscopy: Review of molecular rotational and vibrational spectroscopy: extension to polyatomic molecules: interaction of rotation and vibration; Raman spectroscopy and experimental techniques Chemical kinetics: Review of chemical kinetics, calculation of rate constants: collision theory, Mid-Term-I Activated complex theory, complex reaction mechanism, chain reactions, activation energy and enzyme catalysis Statistical thermodynamics: 2nd law of thermodynamics: time as a thermodynamic variable; the fundamental inequality, thermodynamic surfaces and their inequalities; canonical ensemble and partition function Q; relation to molecular partition function and thermodynamic quantities. Entropy and probability; mixtures of gases and entropy changes at low temperatures. Final exam READING RECOMMENDED READING Atkins, P. and Paula, J.D. (2006) Atkin’s Physical Chemistry. (8th Edition) ISBN 9780198700722 London: Oxford university Press. Silbey, R.J. and Alberty, R. A. (2004) Physical Chemistry. (4th Edition) ISBN-13: 9780471215042: Wiley Houston, P. (2001) Chemical Kinetics and Reaction Dynamics. ISBN: 9780072435375. New York, NY: McGraw-Hill Collin, N. Banwell and Elaine M. McCash (1997) Fundamentals of Molecular Spectroscopy. (4th edition) ISBN 0-07-707976-0 London: McGraw-Hill. 3 5.2 1) 2) 3) 4) 5) 6) 7) 8) ADDITIONAL READING Structure and Spectra of Molecules, W G Richards and P R Scott. Modern Spectroscopy, J M Hollas, 3rd ed, Wiley, 1996. Chemical Kinetics, K J Laidler. Principles of Chemical Kinetics, J E House. Reaction Kinetics M.J.Pilling and P.W.Seakins, OUP,1995. Thermodynamics, E A Guggenheim, 5th or 6th ed, North Holland 1967. Statistical Thermodynamics, A Munster, 1st ed, volume 2, Springer-Verlag 1974. Statistical Thermodynamics, R H Fowler & E A Guggenheim, Cambridge 1949 4