Syllabus for CHE 6615 Advanced Thermodynamics Fall 2014 Tuesday & Thursday 5:00 - 6:15 p.m. Instructor: Prof. Joshua J. Choi Office: ChE building 218 e-mail: [email protected] phone: 434-243-1822 Office Hours: Wednesday 3:00 - 5:00 p.m. and by appointment Teaching Assistant: Eric Dybeck e-mail: [email protected] office hours: by appointment (with special focus on Distance Learning students. Online TA office hours are available) Course Overview & Objectives What precisely is entropy and where does it originate from? Why do different materials have different heat capacities? In 'classical' thermodynamics, we are used to having them as givens (as experimental data for example) and studying their relationships among other quantities such as heat, energy, enthalpy changes and etc. While the classical thermodynamics provides extremely rich and useful relationships among these quantities, it says nothing about why different materials have different thermodynamic quantities and behaviors. This is mainly because the classical thermodynamics was developed in an empirical fashion before the view of atoms and molecules as the building blocks of matter was accepted. In this course, we will learn how the atomic and molecular details of a chemical system determine its thermodynamic quantities and response to external changes. We will find that all macroscopic thermodynamic quantities can be calculated based on (1) the molecular structure of the system and (2) some very powerful and general statistical arguments - this subject is therefore called 'statistical mechanics'. The techniques and ways of thinking learned in statistical mechanics are important in solving problems in areas as diverse as reaction kinetics, catalysis, biochemical engineering, polymer engineering, drug design, and separations. One of the major goals of this class is to help the student gain a sufficiently deep understanding of the fundamentals statistical mechanics and thermodynamics to enable their research efforts. It will also help the student gain a working knowledge of thermophysical property calculations, phase equilibria, and chemical equilibria. At the end of the course, students should be able to: • Derive all the fundamental equations of thermodynamics from assumptions about basic physics and mathematics. • • • • • • • Define what entropy is in both thermodynamic and statistical contexts. Use thermodynamic relationships to predict the state of a system given its initial constraints. Derive equations of state, heat capacities, and chemical potentials from molecular assumptions. Solve simple quantum mechanical problems. Use the solutions of quantum mechanical problems in a statistical mechanics framework. Derive the thermodynamic properties of a simple model from its basic description. Show how a number of complicated physical properties result from simple molecular details. Required Textbook Title Fundamentals of Statistical and Thermal Physics Author F. Reif Publisher Waveland Press, 2009 ISBN 1478610050, 9781478610052 Topics A detailed course schedule and day-by-day required readings are posted on the wiki on the course Collab website. Assessment Points will be given for homework, two mid-term exams, two mid-term quizzes, and a final exam. The weighting for each of these is given below: Homework 15% Quizzes (2) 10% (5% each) Midterm Exams (2) 40% (20% each) Final Exam 35% There is not a set curve in the class; I’m happy to give all A’s if everyone demonstrates that they have mastery of the material. Homework There will be regular homework assignments in this class, usually assigned on Thursdays and due on next Tuesdays. You will be expected to turn in the homework electronically on Collab website or physically to me by the beginning of class (5 pm). Hints as to the solution will be posted on the web after homework is turned in and the problems may be discussed in class. For this reason, no late homework will be accepted without prior arrangement. Not all homework problems can be solved solely by information presented in lecture, and will require additional reading. Homework will be graded on 0–3 scale: 0 point: no real effort made or no homework turned in. 1 point: all problems attempted, some progress made, lack of basic understanding 2 points: perhaps some conceptual problems, but most of the problems solved mostly correctly. 3 points: all problems basically correct, no major conceptual issues, but there may be some minor issues or math errors. Exams There will be two short quizzes, two midterms and a final. The quizzes will consist of relatively simple problems; they will be closed book, closed notes. They will be approximately 30 min, and will be scheduled at times convenient for the class during the weeks indicated. For Distance Learning students, I will email you the quizzes and you will email me back a scanned copy of the answers within 40 minutes. Please arrange a printer and a scanner you can use on time for the quizzes. The quizzes are closed book and closed notes and I will depend on your honor and academic integrity. In addition, there will be 1.5 hour midterms and a final exam in the course, all of which will be in-class, open book and open notes. The Distance Learning students will receive the exam via email and will email back a scanned copy of answers within 1 hour and 40 minutes. The particular day and timing will be chosen to work best for the class. Academic Integrity You may discuss homework assignments with anyone in the class. You can discuss what a question means and use materials in the readings or internet resources listed here as supplementary material or math tools to help check algebra. However, the final work you turn in must be your own. Simple rule of thumb: don’t look at each other’s homework. Copying someone else’s work, in any way, is unacceptable. Explaining concepts to each other is fine. You may not use homeworks or exams from previous years. Some of the problems solved in the class are “classic” problems whose solutions can be found on the web; you should work these out on your own! Exams must be strictly each student’s individual effort. You must not discuss the exams with anyone but the instructor while they are out. You can only use the materials provided for the class and recommended readings on the exams. E-mail Policy If you have a question on course material, please plan on coming to office hours or set up another time to stop by instead of sending an e-mail. Email is very inefficient to discuss complicated technical topics. If it is a short question, please feel free to drop by anytime; otherwise, it is best to come by office hours, or set up an appointment if office hours isn’t convenient. If you have questions on any administrative topic (typos in materials, scheduling questions, etc.), email works very well. I will make every effort to return emails within 24 hours. If you need an answer sooner, you should call or come by my office. Disability Support Services It is the policy of the University of Virginia to accommodate students with disabilities in accordance with federal and state laws. Any student with a disability who needs accommodation, for example in arrangements for seating, extended time for examinations, or note-taking, should present the appropriate paperwork (i.e., an accommodation memo) from the Learning Needs and Evaluation Center (LNEC) and follow-up with the instructor about logistics and implementation of accommodations. If you, as a student with a disability, have difficulty accessing any part of the course materials or activities for this class, please notify the instructor immediately. Accommodations for test-taking should be arranged in the first two weeks of the semester. A student’s academic dean is also available to assist with accommodations, particularly for temporary or emergency situations. Students with disabilities are encouraged to contact the LNEC: telephone 434-243-5181, TTY 434-243-5189, or via the Web at http://www.virginia.edu/studenthealth/lnec.html. Course Reserve List It is vital to look at thermodynamic concepts from multiple perspectives. The books listed below are on reserve in the Brown Science and Engineering Library. Most can be checked out for two days at a time. Note especially that some of them can be read online while connected to the U.Va. network. • Your undergraduate textbook. You’ll probably find it makes more sense this time as we cover many of the same topics in a different light. • Atkins, P. W. Friedman, R. S. Molecular Quantum Mechanics, QD462 A84 2005, 4th edition • Chandler, D. Introduction to Modern Statistical Mechanics, QC174.8 C47 1987 • Hill, T. L. An Introduction to Statistical Thermodynamics, (available online at http://www.knovel.com) • Lucas, K. Molecular Models for Fluids, TA357.L78 2007, (available online at http://www.knovel.com) • McQuarrie, D. A. Statistical Mechanics, QC174.8 M3 • O’Connell, J. P. and Haile, J. M. Thermodynamics: Fundamentals for Applications, QC311.O3 2005 • Poling, B. E. et al. The Properties of Gases and Liquids, TP242 .P62 2001 • Prausnitz, J. M., Lichtenthaler R. N., Gomes de Azevedo, E. Molecular Thermodynamics of Fluid-Phase Equilibria, Available online while connected to the campus network at: http://proquest.safaribooksonline.com/9780132441902 • Tester, J. W. and Modell, M. Thermodynamics and Its Applications, 3rd edition, QD504 T37 1997 • Walas, S. M. Phase Equilibria in Chemical Engineering, TP156.E65 W34 1985 Comment It’s not at all uncommon to struggle with this material. This is a challenging course, and you will only understand the material by struggling with it through reading, thinking, and problems. Don’t expect to know the answer right away, and avoid feeling competitive with other students as you will find that everyone has different backgrounds that contribute differently to the success of your future projects in research & industry (which is ultimately what matters). Your job is to learn and understand, not to beat the curve (and there is no curve in this course). As long as your average is B+ or above, noone really cares or asks what grades you get in graduate courses. When you apply for jobs after graduate school, noone will ask what grades you got! Instead, they will care about how efficiently, critically and correctly you think about problems and, also importantly, your output in research and industry settings. The materials you learn in this course will help advance your future projects in a research group or company. The only way to get there is to learn how to absorb and master the material.
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