THERMODYNAMICS and STATISTICAL THERMODYNAMICS3150:635-001Spring 2010Instructor:! ! David S. PerryOffice: ! KNCL 302 Phone: ! 972-6825Office Hours:! ! to be arranged Email: ! [email protected]: Thermodynamics (review) ! Statistical Thermodynamics ! ApplicationsStructure: !Lectures Tu Th 3:15 - 4:30 PM. in KNCL 321 ! 3 credits ! Weekly problems ! 2 examinationsPrerequisites:! 3 to 4 semesters of college mathematics (excluding precalculus) ! ! 1 semester of undergraduate thermodynamics, e.g., CHM 313. ! ! 1 semester of quantum chemistry, e.g., CHM 314 (recommended).Texts: D. A. McQuarrie, Statistical Mechanics (principal text). Any basic text on chemical thermodynamics (supplementary text. Peter A. Rock, Chemical Thermodynamics is a good one!) Credit: ! Problems and Class Participation ! 20 ! Classical Thermodynamics Exam ! 20 ! Statistical Thermodynamics Exam ! 30 ! Individual Project ! 30 ! TOTAL ! 100The relative weight of the four components above and the dates of the exams can be adjusted according to the background and interests of the class.Individual projects will involve an essay or computation on a topic in statistical thermodynamics that is at the frontier of current research. Each student will undertake a different topic.Class participation credit will be given for presentation and discussion of homework problems and preparation of written solutions to homework problems for distribution to the class.CHM 635 SYLLABUSSPRING 2010I. ThermodynamicsThis will be a fairly fast-paced review designed to bring your understanding up to a graduate level. The coverage of this part of the course will be defined by the problems; I will not lecture explicitly on every topic. Preliminaries The First Law The Second Law Maxwell's Relationships The Third law The Chemical Potential II. Statistical ThermodynamicsThis part of the course will follow the presentation of McQuarrie, Statistical Mechanics, Chapters 1-10 and 13 and will take almost half of the lecture time. This part of the course will cover the core concepts of Statistical Mechanics and applications to gases and liquids.III. ApplicationsMany of the applications to be discussed are found in chapters 11-15 of McQuarrie. Important applications include non- ideal gases, crystals, liquids, first and second order phase transitions, systems in electric and magnetic fields, polymers, superconductivity, liquid crystals, ergodicity and chaos, statistical spectroscopy, nonequilibrium statistical mechanics The applications that are covered and the emphasis placed on each will depend, in part, on the interests of the members of the class. Several topics will be covered by the oral presentation of projects by individual class members during the last week of the semester. It is the objective of this part of the course to impart at least some appreciation for the scope and power of modern research in statistical mechanics.Individual ProjectsEach student can choose to do a library research project or a computational project. Your topic must be distinct from you dissertation research. Please consult with me on your topic selection.Library Research ProjectScope•library research including up-to-date material•essay not more than 10 typed double spaced pages. Try for 6 to 8 pages plus figures and references.•15 minute talk, and 5 minutes for questions. Use about a 10-12 slides to introduce the key concepts of your topic to the class. Be sure to enlarge literature figures to make them easily discernible and include the exact reference at the bottom.Content•A solid explanation of a phenomenon through statistical mechanical theory.•One concrete application to a specific system.•Include literature references as appropriate for a scientific paper. •The level of the presentation should be appropriate for members of this class who are NOT familiar with the topic. The explanations should be qualitatively clear and not excessively mathematical. Part of your score will be for how well you communicate the important concepts to the class. Each member of the class will get a copy of your essay. Note that this level of presentation requires a deeper understanding of the material than does a fully technical presentation.•According to standard professional practice, all material taken from another source must be explicitly referenced. This includes•any quoted text (which should be in quotation marks),•each equation,•each figure, and•each table taken from another source.•Include figures and tables as needed for a clear exposition. Figures may be copied from books and articles, but be sure to write your own caption to make the figure understandable in the context of your essay and include the explicit reference for that figure in the caption.TopicsUse these as ideas or choose your own topic.•non- ideal gases, •crystals (metals, insulators, semiconductors),•liquids (water, hard spheres, argon, etc.), •first or second order phase transitions,•systems in electric or magnetic fields (Ising model, phase transitions), •polymers (properties, formation, or molecular dynamics simulations),•fractals (e.g., scaling properties of polymers)•superconductivity (regular, high Tc materials), •Bose condensation in ultracold gases•liquid crystals (phases, phase transitions, molecular dynamics simulations),•phase transitions in DNA•critical phenomena (critical exponents, renormalization group theory, industrial applications)•ergodicity and chaos (in kinetics, in molecules, in classical systems, quantum systems),•statistical spectroscopy (random matrix theory, cross-correlation, Fourier transform analysis), •nonequilibrium statistical mechanics (pick a specific case or application)•an application of the Monte Carlo method•an application of the molecular dynamics method•Brownian motion•The transition state theory of chemical reactions•The RRKM theory of unimolecular reactionsComputational ProjectsScope•Use of statistical mechanics to compute of useful thermodynamic quantities on a system of interest.•Report including relevant background, procedure, data, and conclusions not more than 10 typed double spaced pages. Try for 6 to 8 pages plus figures and references.•15 minute talk, and 5 minutes for questions. Use about a 10-12 slides to introduce the