WINONA STATE UNIVERSITY Chem. 412 - Fall Semester 200X Physical Chemistry I - 3 S.H. Instructor: Dr. C.B. W. Ng (PA312G, 457-5293) e-mail: wng@winona.edu Web-site: http://course1.winona.msus.edu/wng/ Lectures: M W F 9:00 - 9:50 a.m. PA332 Required Text: J. H. Noggle, Physical Chemistry, 3rd ed., Harper Collins. Recommended Reference: R. G. Mortimer, Mathematics for Physical Chemistry, 2nd ed., Harcourt Academic Press (1999). Course Purpose: Chemistry is the science of matter and the changes matter can undergo. Physical chemistry deals with the physical principles underlying chemistry and seeks to account for the properties of matter (such as atoms, electrons, and energy) in terms of fundamental concepts. It provides the basic framework for branches of chemistry such as inorganic chemistry, organic chemistry, biochemistry, geochemistry, and chemical engineering. It also provides the basis for modern methods of analysis, the determination of structure, and the elucidation of the manner in which chemical reactions occur. Physical chemistry is divided into four majors areas: thermodynamics, quantum chemistry, kinetics, and statistical mechanics. This course provides an in-depth study of thermodynamics, which is the study of heat, work, energy, and the changes they produce in the states of systems. In a broad sense, thermodynamics studies the relationships between the macroscopic properties of a system (which include such properties as temperature, pressure, volume, and amount of substance) and the correlation of these macroscopic observables to the microscopic nature of the chemical universe. Mathematics is one the most important tools of physical chemistry. Much of physical chemistry involves casting physical problems into mathematical language. This involves development of mathematical models starting with microscopic predictions and correlating derived equations with macroscopic observations. Mathematical approaches include applications such as multi-variable functions, differential and integral calculus, differential equations, power series, and operator algebra. Computational data analysis via graphical and statistical treatments involves the use of software packages such as Mathcad, Excel, and HyperChem. The latter software also enables molecular visualization and enhances students’ abilities to correlate molecular structure to macroscopic behavior. As such, this course emphasizes a significant practice in the application of mathematical/statistical approaches to physical chemistry principles, thereby empowering the intellectual/critical thinking development of students in physical chemistry and enhancing their understanding of the chemical universe. Course Description: States of Matter and Equation of States. Thermodynamics of single component and multi-component systems. Equilibria. Computer applications. An introduction to quantum mechanics and spectroscopy. Meets University Studies Mathematics/Statistics Flag requirement. Prerequisites: one year each of college chemistry and physics, and one semester of Calculus. Offered yearly. 1 Completion of this course will include requirements and learning activities that promote students’ abilities to achieve the following Outcomes: a. practice the correct application of mathematical or statistical models that are appropriate to prerequisite knowledge of physical chemistry; and b. make proper use of modern mathematical or statistical methods appropriate to students’ level of prerequisite knowledge, to include, if statistics is used in a substantive way, the use of a statistical package with graphics capability when appropriate; Completion of this course will satisfy the Mathematics/Statistics Flag Requirement in the University Studies Program. Course Details/Requirements/Activities: In order to pass the course, students are expected to: 1. attend and participate in lecture-discussion-problem solving sessions, [Outcomes a, b] 2. complete and turn in assigned problem sets, [Outcomes a, b] 3. read assigned chapters and attempt text problems, [Outcomes a, b] 4. use Mathcad and HyperChem in visualizations, calculations, and interpretations of system properties, [Outcome b] 5. utilize Excel in data, graphical, and statistical analysis of sample and real-world examples, [Outcome b] 6. collaborate/discuss in problem solving and model analysis sessions, [Outcome a, b] and 7. pass, in general, quizzes, tests, and final examination. [Outcomes a, b]. The two-hour final examination will cover the whole course, the two one-hour tests will cover only certain chapters, and the problem sets will cover certain selected topic(s). There will be points deducted for late problem sets. Marking Distribution Date(s) Problem Sets (7) 20% due ~every 2 weeks Tests (2) 50% TBA (25% each) Final Examination 30% Dec. X (Tue) 8 a.m. These assessments will give your level of achievement relative to Outcomes a and b. Grading Scale: A ( 85%) , B (70-85%), C (55-70%), D (45-55%), F (<45%). 2 Title/Topic(s) Chapter(s) Lectures Appendix 1. Introduction Scopes and Methods of Physical Chemistry Review of Mathematical Principles 3 2. States of Matter Ideal Gas Properties & Empirical Relations Real Gases: Van der Waals & Virial Equations Properties of Liquids & Solids Computer Applications 1 9 3. Energies of Molecules Classical Equipartition of Energy: trans, rot, vib Experimental Measures of Average Molecular Energies 2 3 4. Energy and the First Law (Thermochemistry) Concepts of Heat and Work Applications: Enthalpy, Calorimetry, Heat Capacities, Chem. Rxns. 2 8 5. Entropy - Second and Third Laws Entropy Changes for Different State Changes and State Variables Reversible versus Irreversible Processes Heat Engines, Carnot Cycles, Spontaneous Processes Perpetual Motion, Fate of the Universe 3 6 6. Equilibrium and Spontaneity Gibbs & Helmholtz Energy Functions Applications to Reactions under Different Constraints 3,4,6 7. Quantum Chemistry (an Introduction) ...(optional) Wave-Particle Duality Bohr’s Atomic Model ...Operator Algebra ...Postulates of Quantum Theory ...Particle in a Box (Translational) ...Harmonic Oscillator (Vibrational) ...Angular Momentum (Rotational) ...Spectroscopic Applications 11 8 12 , 13 , 14 (optional) 1 The study of these physical chemistry concepts requires purposeful readings of your textbook, attendance and participation in lecture-discussion sessions, and completion of problem set assignments. The lecture material is complemented by in-class chemical demonstrations/simulations, video media, computer visualizations (molecular modeling and graphical interpretations), web/internet supplements, active participation using laptops in and outside the classroom, and the correct application and proper use of mathematical methods appropriate to physical chemistry. Furthermore, these chemistry concepts are supplemented with hands-on laboratory experiments in Chemistry 413. Successful completion of studies of these lecture topics will promote your ability to achieve Outcomes a and b for the Mathematics/Statistics Flag Requirement in the University Studies Program. Completion of this course will satisfy the Mathematics/Statistics Flag Requirement in the University Studies Program. Additional course information can be accessed via the webpage: http://course1.winona.edu/wng/ 3