Chemistry 8561, Fall Semester, 2006Thermodynamics, Statistical Mechanics, and Kinetics I13:25–14:15, Monday, Wednesday, Friday, 121 Smith Hallhttp://www.chem.umn.edu/groups/siepmann/teaching/Chem8561.htmlIlja Siepmann, 227 Smith Hall, [email protected] office hours: any timeKatie Maerzke, 352 BioSci Ctr, [email protected] hours: Monday, 3-5p, GenChem Tutor RoomJake Rafferty, 358 BioSci Ctr, [email protected] hours: Friday, 12-2p, GenChem Tutor RoomGeneral Information: Chemistry 8561 is the first part of a two-semester sequence andwill cover (i) selected topis in thermodynamics and (ii) an introduction to statisticalmechanics of ideal systems and liquids. The second part (Chem 8562) will focus on(iii) molecular simulations of strongly interacting systems and (iv) an introduction tokinetics and chemical dynamics.Textbook: “Statistical Mechanics” by Donald A. McQuarrie (University Science Books,2000 (1976)) is the recommended textbook. Another good book is “An Introduction toStatistical Thermodynamics” by Terrell L. Hill (Dover, 1986).Examinations: There will be six to seven 15-minute quizzes at the beginning of class onrandom dates. One 50-minute class examination will be given on Wednesday, Octo-ber 25. This exam is scheduled during the normal lecture period. The final examinationis scheduled for Wednesday, December 20, from 16:00 to 18:00 and will also bein 121 Smith Hall. The exams are not open book. Calculators are required, but pro-grammable calculators with alphanumeric keypads can only be used on an honor basisduring examinations.Homework: Twelve homework assignments will be distributed on Wednesday throughoutthe quarter (and posted on the web-site). Homework assignments should be carried out insmall groups (consisting of no more than 3 students). Assignments (one per group) willbe collected on the following Wednesday.Grading: Final Grades will be calculated from a weighted average of the performances inthe quizzes (1/6), the homework assignments (1/6), the presentation (1/6), the midtermexam (1/6) and the final exam (1/3). [Registered students who do not complete the coursewill receive an F, unless they officially withdraw from the course. Incompletes will be givenonly when discussed with and approved by the instructor before the end of the semester.]Presentations: Every student will present a 50-minute lecture on a selected topic inthermodynamics (usually on Friday). Suggestions for selected topics are:• ideal gas law, Joule and Joule-Thomson experiments;• van der Waals and other equations of state, critical point and principle of correspond-ing states;• work, heat, energy, and the first law of thermodynamics;• Carnot cycle and the second law of thermodynamics;• entropy and the third law of thermodynamics;• Legendre transforms and Maxwell equations;• chemical potential and fugacity; spontaneity and equilibrium;• chemical equilibria: effects of temperature, pressure, and pH;• ideal mixtures, Raoult’s and Henry’s law, ideal solutions and colligative properties;• vapor–liquid and liquid–liquid phase equilibria, equilibria with supercritical fluids;• solid–fluid and solid–solid phase equilibria, ternary phase equilibria;• electrochemistry;• interfacial properties and adsorption;• nucleation;• special topics.Please send an e-mail with a ranked list of three topics to JIS before class on Friday,September 8.Schedule:The following is the lecture and examination schedule, along with readingassignments. There is some flexibility in the lecture schedule: we may cover more or lessmaterial depending on the needs and desires of the class. Some additional class periodsmay be scheduled to cover the thermodynamics presentations.Chemistry 8561, Schedule for Fall 06DATE TOPICS READING HWW 9/6 Introduction; Three postulates 1.1 – 1.5 H1F 9/8 no class (Aerosol Workshop)M 9/11 Canonical ensemble 2.1 – 2.4W 9/13 Canonical ensemble (contd.) H2F 9/15 Thermodynamics Presentation AM 9/18 no class (3M/IFPSC Workshop)W 9/20 µVT and NpT ensembles 3.1 – 3.2 H3F 9/22 Thermodynamics Presentation BM 9/25 µVT and NpT ensembles (contd.)W 9/27 Fluctuations and Boltzmann statistics 3.3, 4.1 H4F 9/29 Thermodynamics Presentation CM 10/2 Fermi-Dirac and Bose-Einstein statistics 4.2W 10/4 Ideal monatomic gas 5.1 – 5.3 H5F 10/6 Thermodynamics Presentation DM 10/9 Ideal monatomic gas (contd.)W 10/11 Ideal diatomic gas 6.1 – 6.3 H6F 10/13 Thermodynamics Presentation EM 10/16 Ideal diatomic gas (contd.)W 10/18 Ideal polyatomic gas 8.1 – 8.4 H7F 10/20 Thermodynamics Presentation FM 10/23 ReviewW 10/25 Midterm ExamF 10/27 Thermodynamics Presentation GM 10/30 Classical statistical mechanics 7.1 – 7.3W 11/1 Chemical Equilibrium 9.1 – 9.3 H8F 11/3 Thermodynamics Presentation HM 11/6 Chemical Equilibrium (contd.)W 11/8 Crystals 11.1 – 11.6 H9F 11/10 Thermodynamics Presentation IM 11/13 no class (AIChE Annual Meeting)W 11/15 no class (AIChE Annual Meeting)F 11/17 Thermodynamics Presentation JM 11/20 Crystals (contd.)W 11/22 Quantum statistics 10.1 – 10.2 H10F 11/24 HolidayM 11/27 Quantum statistics (cont.)W 11/29 Imperfect gases 12.1 – 12.7; ST 15.1 – 15.7 H11F 12/1 Thermodynamics Presentation KM 12/4 Imperfect gases (contd.)W 12/6 Cell theory of liquids ST 12.1 – 12.2; Hill 16 H12F 12/8 Thermodynamics Presentation MM 12/11 Distribution functions 13.1 – 13.3W 12/13 ReviewW 12/20 16:00 – 18:00 FINAL