Physical Chemistry III
本課程是由 國立陽明交通大學應用化學系提供。
Introduction to quantum chemistry, molecular orbitals and bonding. The Schrodinger equation and its solutions for some simple systems. Wavefunctions, one-electron and multielectron atoms and molecules, rotation and vibration of molecules. Molecular orbitals and bonding in diatomic and polyatomic molecules. Molecular symmetry, structure, and spectroscopy.
Textbook：Physical Chemistry 3rd edition, Mortimer, 2008.
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| Instructor(s) | Department of Applied Chemistry Prof. Chao-Yuan Zhu |
|---|---|
| Course Credits | 3 Credits |
| Academic Year | 98 Academic Year |
| Level | Third Year of University |
| Prior Knowledge | Physical Chemistry (I), Physical Chemistry (II) |
| Related Resources | Course Video Course Syllabus Course Calendar |
| Week | Course Content | Course Video |
|---|---|---|
| 單元一 Molecular energy levels for macroscopic thermodynamics Introduction Quantum statistic mechanics Simple translational, rotational, and vibrational models Partition function | Watch Online | |
| 單元二 Equilibrium statistical mechanics I. Probability distribution Most probable distribution The molecular partition function Translational partition function | Watch Online | |
| Rotational partition function Vibrational partition function Electronic partition function Partition function for polyatomic molecule Number of translational states* | Watch Online | |
| 單元三 Equilibrium statistical mechanicsII Statistical thermodynamics Entropy Pressure State functions Calculation of internal energy Partition function of Van der Waals equation* | Watch Online | |
| Calculation example Chemical equilibrium | Watch Online | |
| Chemical reaction for triatomic system Arrhenius formula | Watch Online | |
| 單元四 Equilibrium statistical mechanics III. Ensembles Canonical ensemble Classical statistical mechanics | Watch Online | |
| Dense gases Liquids | Watch Online | |
| 單元五 The structure of solids, liquids, and polymers Crystal Vibration Free electron theory | Watch Online | |
| From solid to liquid Polymer conformation | Watch Online | |
| 單元六 The kinetic theory of gases The velocity probability distribution | Watch Online | |
| Radial distribution molecular speed Pressure, effusion and collision Potential energy | Watch Online | |
| Molecular collisions in a hard-sphere gas 單元七 The rates of chemical reactions Chemical reaction rate Forward reaction with one reactant | Watch Online | |
| Forward reaction with two reactants Including reverse reaction Competing reactions | Watch Online | |
| 單元八 The chemical reaction mechanisms Collision theory of bimolecular reactions Arrhenius formula (again) Fraction number in bimolecular reactions Unimolecular reactions | Watch Online | |
| Two-step reactions More than two-step reactions Chain reactions | Watch Online |
課程目標
本課程主要探討怎樣從分子水平來理解宏觀化學熱力學和動力學的過程，以及用最簡單的量子化學模型去摸似傳統的宏觀物理化學世界。
課程章節
| 章節 | 章節內容 |
| 單元一 | Molecular energy levels for macroscopic thermodynamics |
| 單元二 | Equilibrium statistical mechanics I. Probability distribution |
| 單元三 | Equilibrium statistical mechanics II. Statistical thermodynamics |
| 單元四 | Equilibrium statistical mechanics III. Ensembles |
| 單元五 | The structure of solids, liquids, and polymers |
| 單元六 | The kinetic theory of gases |
| 單元七 | The rates of chemical reactions |
| 單元八 | The chemical reaction mechanisms |
| 單元九 | Transition state theory |
課程書目
Physical Chemistry 3rd edition, Mortimer, 2008.
參考書目
Physical Chemistry 2nd edition, Engel and Reid, Pearson 2010. Physical Chemistry, McQuarrie and Simon, 1997. Atkins Physical Chemistry 7th edition, Atkins and Paula, 2002.
評分標準
| 項目 | 百分比 |
| 作業部分：每堂課後均有作業 | 25% |
| 期中考 | 35% |
| 期末考 | 40% |
本課程行事曆提供課程進度與考試資訊參考。
| 章節 | 章節內容 |
| 單元一 | Molecular energy levels for macroscopic thermodynamics |
| 單元二 | Equilibrium statistical mechanics I. Probability distribution |
| 單元三 | Equilibrium statistical mechanics II. Statistical thermodynamics |
| 單元四 | Equilibrium statistical mechanics III. Ensembles |
| 單元五 | The structure of solids, liquids, and polymers |
| 單元六 | The kinetic theory of gases |
| 單元七 | The rates of chemical reactions |
| 單元八 | The chemical reaction mechanisms |
| 單元九 | Transition state theory |
