Engel & Reid的《Physical Chemistry》、《Quantum Chemistry and Spectroscopy》、《Thermodynamics, Statistical Thermodynamics, and Kinetics》


物理化學
Engel & Reid的《Physical Chemistry》第三版 目錄:
  1. Fundamental Concepts of Thermodynamics — 1
    Thomas Engel / Philip Reid
  2. Heat, Work, Internal Energy, Enthalpy, and the First Law of Thermodynamics — 17
    Thomas Engel / Philip Reid
  3. The Importance of State Functions: Internal Energy and Enthalpy — 51
    Thomas Engel / Philip Reid
  4. Thermochemistry — 73
    Thomas Engel / Philip Reid
  5. Entropy and the Second and Third Laws of Thermodynamics — 99
    Thomas Engel / Philip Reid
  6. Chemical Equilibrium — 147
    Thomas Engel / Philip Reid
  7. The Properties of Real Gases — 193
    Thomas Engel / Philip Reid
  8. Phase Diagrams and the Relative Stability of Solids, Liquids, and Gases — 213
    Thomas Engel / Philip Reid
  9. Ideal and Real Solutions — 243
    Thomas Engel / Philip Reid
  10. Electrolyte Solutions — 279
    Thomas Engel / Philip Reid
  11. Electrochemical Cells, Batteries, and Fuel Cells — 297
    Thomas Engel / Philip Reid
  12. From Classical to Quantum Mechanics — 341
    Thomas Engel / Philip Reid
  13. The Schrödinger Equation — 359
    Thomas Engel / Philip Reid
  14. The Quantum Mechanical Postulates — 381
    Thomas Engel / Philip Reid
  15. Using Quantum Mechanics on Simple Systems — 393
    Thomas Engel / Philip Reid
  16. The Particle in a Box and the Real World — 411
    Thomas Engel / Philip Reid
  17. Commuting and Noncommuting Operators and the Surprising Consequences of Entanglement — 435
    Thomas Engel / Philip Reid
  18. A Quantum Mechanical Model for the Vibration and Rotation of Molecules — 457
    Thomas Engel / Philip Reid
  19. The Vibrational and Rotational Spectroscopy of Diatomic Molecules — 483
    Thomas Engel / Philip Reid
  20. The Hydrogen Atom — 517
    Thomas Engel / Philip Reid
  21. Many-Electron Atoms — 537
    Thomas Engel / Philip Reid
  22. Quantum States for Many-Electron Atoms and Atomic Spectroscopy — 563
    Thomas Engel / Philip Reid
  23. The Chemical Bond in Diatomic Molecules — 595
    Thomas Engel / Philip Reid
  24. Molecular Structure and Energy Levels for Polyatomic Molecules — 627
    Thomas Engel / Philip Reid
  25. Electronic Spectroscopy — 661
    Thomas Engel / Philip Reid
  26. Computational Chemistry — 691
    Thomas Engel / Philip Reid
  27. Molecular Symmetry — 747
    Thomas Engel / Philip Reid
  28. Nuclear Magnetic Resonance Spectroscopy — 775
    Thomas Engel / Philip Reid
  29. Probability — 809
    Thomas Engel / Philip Reid
  30. The Boltzmann Distribution — 835
    Thomas Engel / Philip Reid
  31. Ensemble and Molecular Partition Functions — 859
    Thomas Engel / Philip Reid
  32. Statistical Thermodynamics — 893
    Thomas Engel / Philip Reid
  33. Kinetic Theory of Gases — 925
    Thomas Engel / Philip Reid
  34. Transport Phenomena — 947
    Thomas Engel / Philip Reid
  35. Elementary Chemical Kinetics — 981
    Thomas Engel / Philip Reid
  36. Values of Selected Physical Constants; SI Prefixes; Greek Alphabet; Conversion Table for Units — 1029
    Thomas Engel / Philip Reid
  37. Masses and Natural Abundances for Selected Isotopes; Periodic Table of the Elements — 1031
    Thomas Engel / Philip Reid

其中CH1-CH11為Chemical Thermoynamics ; CH12-CH18為Molecular Quantum Mechanics and Spectroscopy ; CH29-CH34為Statistical Mechanics;Ch35為Chemical Kinetics and Dynamics​。 

 到了第四版，原本第三版的一冊《Physical Chemistry》被拆分成兩冊： 
Physical Chemistry: 《Quantum Chemistry and Spectroscopy》, 4th ed. 
Physical Chemistry: 《Thermodynamics, Statistical Thermodynamics, and Kinetics》, 4th ed. 

 也就是把第三版原本連貫的： 
 Chemical Thermodynamics→Molecular Quantum Mechanics and Spectroscopy→Statistical Mechanics→Chemical Kinetics and Dynamics 

 拆成兩個可獨立授課的教材模組。
I.《Quantum Chemistry and Spectroscopy》第四版

全書共 17 章：
  1. From Classical to Quantum Mechanics
  2. The Schrödinger Equation
  3. The Quantum-Mechanical Postulates
  4. Applying Quantum-Mechanical Principles to Simple Systems
  5. Applying the Particle in the Box Model to Real-World Topics
  6. Commuting and Noncommuting Operators and the Surprising Consequences of Entanglement
  7. A Quantum-Mechanical Model for the Vibration and Rotation of Molecules
  8. Vibrational and Rotational Spectroscopy of Diatomic Molecules
  9. The Hydrogen Atom
  10. Many-Electron Atoms
  11. Quantum States for Many-Electron Atoms and Atomic Spectroscopy
  12. The Chemical Bond in Diatomic Molecules
  13. Molecular Structure and Energy Levels for Polyatomic Molecules
  14. Electronic Spectroscopy
  15. Computational Chemistry
  16. Molecular Symmetry and an Introduction to Group Theory
  17. Nuclear Magnetic Resonance Spectroscopy
這一冊基本上就是第三版原本的 Ch.12–28 獨立出來，重新編號為 Ch.1–17。第四版的正式目錄確實從量子力學基礎一路到原子、分子電子結構、光譜、計算化學、群論與 NMR。

因此整冊可以統稱為：

Molecular Quantum Mechanics and Spectroscopy
​
如果再細分，其結構是：

Quantum Mechanics→Molecular Rotation/Vibration→Atomic Structure→Molecular Electronic St

也包含現代量子化學的重要工具：

Computational Chemistry+Molecular Symmetry.


II.《Thermodynamics, Statistical Thermodynamics, and Kinetics》第四版
 全書共 20 章。
A. Ch.1–11：Chemical Thermodynamics
  1. Fundamental Concepts of Thermodynamics
  2. Heat, Work, Internal Energy, Enthalpy, and the First Law of Thermodynamics
  3. The Importance of State Functions: Internal Energy and Enthalpy
  4. Thermochemistry
  5. Entropy and the Second and Third Laws of Thermodynamics
  6. Chemical Equilibrium
  7. The Properties of Real Gases
  8. Phase Diagrams and the Relative Stability of Solids, Liquids, and Gases
  9. Ideal and Real Solutions
  10. Electrolyte Solutions
  11. Electrochemical Cells, Batteries, and Fuel Cells
因此：

Ch.1–11 = Chemical Thermodynamics ​

這部分和第三版前 11 章的基本架構幾乎直接對應。

Engel 在第 1 章直接把熱力學定義為一門巨觀科學，而且明確說她：

不依賴對物質在分子尺度上的描述。

他甚至用那個很極端、但很漂亮的 Concept 說明：

因為熱力學不需要描述物質的微觀細節，所以她既可以應用於一公升純水，也可以應用於一公升垃圾。

所以：

Thermodynamics does not require Statistical Mechanics
​
第一、第二、第三定律，以及由她們建立的

U, H, S, A, G, μ

都可以直接從巨觀實驗事實、狀態函數以及平衡關係建立。

不需要先知道：
  • 原子是否存在；
  • 分子的波函數；
  • 分子有哪些量子能階；
  • 配分函數；
  • Boltzmann distribution。
照樣可以做：

ΔG<0

的自發性判斷，也可以計算相平衡、化學平衡與電池電勢。

因此：

Thermodynamics
是一套本身可以自足的巨觀理論。

這點其實也和 Levine 對四大領域的界定一致：thermodynamics 是研究平衡巨觀性質及其關係的 macroscopic science，而 statistical mechanics 則是把 molecular 與 macroscopic levels 連起來的另一門理論。

B. Ch.12–17：Statistical Mechanics
  1. Probability
  2. The Boltzmann Distribution
  3. Ensemble and Molecular Partition Functions
  4. Statistical Thermodynamics
  5. Kinetic Theory of Gases
  6. Transport Phenomena
因此:

Ch.12–17 = Statistical Mechanics
​

統計力學可以「解釋並重建」熱力學，雖然熱力學可以獨立成立，不代表統計力學與她無關。

恰恰相反：

Thermodynamics 不需要 Statistical Mechanics 才成立
​

但是：

Statistical Mechanics 可以從微觀理論導出 Thermodynamics
​

也就是一種不對稱關係。

可以畫成：

Thermodynamics

本身就站得住；

但如果我們追問：

為什麼 U,S,CV,G 具有這些數值？

便要往下走：

Microscopic molecular properties⟶Statistical Mechanics⟶Macroscopic Thermodynamics
​
因此 Statistical Mechanics 並不是熱力學的「必要公理」，而是熱力學的微觀基礎與解釋理論。

Ch.12–17  Statistical Mechanics，其中又可以細分成三層。

Ch.12–15：Equilibrium Statistical Mechanics
Probability→Boltzmann Distribution→Partition Functions→Statistical Thermodynamics


其真正架構為：

Molecular Quantum Mechanics+Statistics→Statistical Mechanics
​


























因此：

Quantum microscopic description→Statistical Mechanics→Macroscopic Thermodynamics
​
Ch.16：Kinetic Theory

Kinetic Theory of Gases 討論：

  • Maxwell velocity/speed distribution
  • molecular collisions
  • effusion
  • mean free path
因此她屬於：

Kinetic Theory within Statistical Mechanics
也就是從平衡能量分布進一步研究分子的運動與碰撞統計。
Ch.17：Transport / Nonequilibrium Statistical Mechanics
Transport Phenomena 討論：
  • diffusion
  • thermal conduction
  • viscosity
  • ionic conduction
共同核心是：

也就是：

gradient→flux→relaxation toward equilibrium
​
所以 Ch.17 可以理解為統計力學向非平衡統計力學／傳輸理論的延伸。


II. Ch.18–19：Chemical Kinetics and Dynamics
  1. Elementary Chemical Kinetics
  2. Complex Reaction Mechanisms
表面上出版社仍然用 Kinetics 命名，但從內容分類，我會把兩章合稱為：

Chemical Kinetics and Dynamics
​
因為 Ch.18 不只包含：
  • reaction rates
  • rate laws
  • integrated rate laws
  • sequential and parallel reactions
  • temperature dependence of rate constants

這些傳統 kinetics，還包括：
  • perturbation–relaxation methods
  • potential energy surfaces
  • activated complex theory
  • diffusion-controlled reactions
尤其是：

Potential Energy Surfaces
​
已經開始從：

反應有多快？

進一步走向：

分子究竟如何從反應物走到生成物？

也就是：

Reactants→Transition region→Products.

這就是 chemical dynamics 的基本視角。

Ch.19 又進一步討論：

  • Lindemann mechanism
  • catalysis
  • radical-chain reactions
  • explosions
  • nonlinear and oscillating reactions
  • photochemistry
  • electron transfer
所以最適合的廣義名稱是：
Chemical Kinetics and Dynamics
​
當然，Engel 在這裡仍只是大學化學系的物理化學層級，尚未深入專門 chemical dynamics 的 reactive scattering、trajectory、state-to-state dynamics 等內容。

IV. Ch.20：Macromolecules
Macromolecules
包含：
  • Macromolecular Structures
  • Random-Coil Model
  • Biological Polymers
  • Synthetic Polymers
  • Characterizing Macromolecules
  • Self-Assembly, Micelles, and Biological Membranes
Engel 自己在章首就指出，本章需要第 12 章的：

probability+probability distribution functions.

因此它雖然在章序上被放到 Ch.20，但從學科分類上最好看成：

Statistical Mechanics — Macromolecular Applications
​
尤其 Random-Coil Model、本體構型統計、高分子質量分布、自組裝，都具有很強的統計力學色彩。

總結:
《Thermodynamics, Statistical Thermodynamics, and Kinetics》
Ch.1–11 :Chemical Thermodynamics
Ch.12–17:Statistical Mechanics 
Ch.18–19:Chemical Kinetics and Dynamics
Ch.20:Statistical Mechanics — Macromolecular Applications

《Quantum Chemistry and Spectroscopy》
 Ch.1–17:Molecular Quantum Mechanics and Spectroscopy
​
第三版完整合冊第四版
Ch.1–11 Chemical ThermodynamicsTSTK Ch.1–11
Ch.12–28 Molecular Quantum Mechanics and SpectroscopyQC&S Ch.1–17
Ch.29–34 Statistical MechanicsTSTK Ch.12–17
Ch.35 Elementary Chemical Kinetics擴充為 TSTK Ch.18–19 Chemical Kinetics and Dynamics
無新增 TSTK Ch.20 Macromolecules
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