物理化學(三)
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.
課程用書：Physical Chemistry 3rd edition, Mortimer, 2008.
為求學習成效完美，請購買課本！
| 授課教師 | 應用化學系 朱超原老師 |
|---|---|
| 課程學分 | 3學分 |
| 授課年度 | 98學年度 |
| 授課對象 | 大學三年級學生 |
| 預備知識 | 物理化學(一)、物理化學(二) |
| 課程提供 | 課程影音 課程綱要 課程行事曆 |
| 週次 | 課程內容 | 課程影音 | 課程下載 |
|---|---|---|---|
| 單元一 Molecular energy levels for macroscopic thermodynamics Introduction Quantum statistic mechanics Simple translational, rotational, and vibrational models Partition function | 線上觀看 | MP4下載 | |
| 單元二 Equilibrium statistical mechanics I. Probability distribution Most probable distribution The molecular partition function Translational partition function | 線上觀看 | MP4下載 | |
| Rotational partition function Vibrational partition function Electronic partition function Partition function for polyatomic molecule Number of translational states* | 線上觀看 | MP4下載 | |
| 單元三 Equilibrium statistical mechanicsII Statistical thermodynamics Entropy Pressure State functions Calculation of internal energy Partition function of Van der Waals equation* | 線上觀看 | MP4下載 | |
| Calculation example Chemical equilibrium | 線上觀看 | MP4下載 | |
| Chemical reaction for triatomic system Arrhenius formula | 線上觀看 | MP4下載 | |
| 單元四 Equilibrium statistical mechanics III. Ensembles Canonical ensemble Classical statistical mechanics | 線上觀看 | MP4下載 | |
| Dense gases Liquids | 線上觀看 | MP4下載 | |
| 單元五 The structure of solids, liquids, and polymers Crystal Vibration Free electron theory | 線上觀看 | MP4下載 | |
| From solid to liquid Polymer conformation | 線上觀看 | MP4下載 | |
| 單元六 The kinetic theory of gases The velocity probability distribution | 線上觀看 | MP4下載 | |
| Radial distribution molecular speed Pressure, effusion and collision Potential energy | 線上觀看 | MP4下載 | |
| Molecular collisions in a hard-sphere gas 單元七 The rates of chemical reactions Chemical reaction rate Forward reaction with one reactant | 線上觀看 | MP4下載 | |
| Forward reaction with two reactants Including reverse reaction Competing reactions | 線上觀看 | MP4下載 | |
| 單元八 The chemical reaction mechanisms Collision theory of bimolecular reactions Arrhenius formula (again) Fraction number in bimolecular reactions Unimolecular reactions | 線上觀看 | MP4下載 | |
| Two-step reactions More than two-step reactions Chain reactions | 線上觀看 | MP4下載 |
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 |