課程資訊

ADVANCED PHYSICAL CHEMISTRY (I) (CHEM. THERMODYNAMICS)

98-1

Chem7031

223 M1310

Ceiba 課程網頁

This course is on the equilibrium thermodynamics with introduction concept to statistical thermodynamics. It assumes some previous background in chemical thermodynamics. However, all the thermodynamics principles will be reviewed in the introductory chapters.
Traditional thermodynamics was taught with examples from ideal gas and ideal solution. However, that is already quite familiar to you. I would like to teach in a non-traditional way. This course is designed to teach chemical thermodynamics with a strong connection to statistical concepts and examples will be scattered over polymer and solution which will be more useful to chemists. I intend to follow the textbook of Bowley and Sanchez “Introductory Statistical Mechanics”(2nd ed) mostly. However, I will sometimes add my own materials.

We target the followings for studies
1.Concise review of chemical thermodynamics
2.Concept of probability and statistics
3.Ensemble and probability
4.Entropy and probability
5.Identical particles
6.Phase transition

Office Hours

BenjaminWidom, Statistical Mechanics: A Concise introduction for Chemists,
Cambridge University Press (2002)

Bowley and Sanchez, Introductory Statistical Mechanics SECOND EDITION

(僅供參考)

 No. 項目 百分比 說明 1. 1st exam 20% 2. 2nd exam 30% 3. final exam 50%

 課程進度
 週次 日期 單元主題 第1週 9/15, 9/17 MIT Open Course Ware-MIT5.60 Thermodynamics & Kinetics,影片瀏覽。 0 Introduction to Thermodynamics and Statistical Thermodynamics 0.1 Principle of Detailed Balance 0.2 Microscopic Meaning of Equilibrium 0.3 Free energy 0.4 Boltzmann Distribution 第2週 9/22,9/24 1.3 Different aspects of equilibrium, 1.4 Functions of state, 1.5 Internal energy, 1.6 Reversible changes, 1.7 Enthalpy, 1.8 Heat capacities, 1.9 Reversible adiabatic changes in an ideal gas, 1.10 Problems. 2 Entropy and the second law of thermodynamics： 2.1 A first look at the entropy, 2.2 The second law of thermodynamics. 第3週 9/29,10/01 2.3 The Carnot cycle, 2.4 The equivalence of the absolute and the perfect gas scale of temperature, 2.5 Definition of entropy, 2.6 Measuring the entropy, 2.7 The law of increase of entropy, 2.8 Calculations of the increase in the entropy in irreversible processes, 2.9 The approach to equilibrium, 2.10 Questions left unanswered, 2.11 Problems. 第4週 10/06,10/08 1st exam. 3 Probability and statistics： 3.1 Ideas about probability, 3.2 Classical probability, 3.3 Statistical probability. 第5週 10/13,10/15 3.4 The axioms of probability theory, 3.5 Independent events, 3.6 Counting the number of events, 3.7 Statistical and distributions, 3.8 Problems. 4 The ideas of statistical mechanics, 4.1 Introduction, 4.2 Definition of the quantum state of the system. 第6週 10/20,10/22 4.3 A simple model of spins on lattice sites, 4.4 Equations of state, 4.5 The second law of thermodynamics, 4.6 Problems. 5 The canonical ensemble： 5.1 A system in contact with a heat bath, 5.2 The partition function, 5.3 Definition of the entropy in the canonical ensemble. 第7週 10/27,10/29 5.4 The bridge to thermodynamics through Z, 5.5 The condition for thermal equilibrium, 5.6 Thermodynamic quantities from ln(Z), 5.7 Two-level system, 5.8 Single particle in a one-dimensional box, 5.9 Single particle in a three-dimensional box, 5.10 Expressions for heat and work. 第8週 11/03,11/05 5.11 Rotational energy levels for diatomic molecules, 5.12 Vibrational energy levels for diatomic molecules, 5.13 Factorizing the partition function, 5.14 Equipartition theorem, 5.15 Minimizing the free energy, 5.16 Problems. 6 Identical particles, 6.1 Identical particles, 6.2 Symmetric and ant symmetric wavefunctions. 第9週 11/10,11/12 6.3 Bose particles or bosons, 6.4 Fermi particles or fermions, 6.5 Calculating the partition function for identical particles, 6.6 Spin, 6.7 Identical particles localized on lattice sites, 6.8 Identical particles in a molecule, 6.9 Problems. 第10週 11/17,11/19 2nd exam 第11週 11/24,11/26 7 Maxwell distribution of molecular speeds： 7.1 The probability that a particle is in a quantum state, 7.2 Density of states in k space, 7.3 Single-particle density of states in energy, 7.4 The distribution of speeds of particles in a classical gas. 第12週 12/01,12/03 7.5 Molecular beams 7.6 Problems. 8 System with variable numbers of particles： 8.1 Systems with variable number of particles, 8.2 The condition for chemical equilibrium, 第13週 12/08,12/10 8.3 The approach to chemical equilibrium. 8.4 The chemical potential, 8.5 Reactions, 8.6 External chemical potential, 8.7 The grand canonical ensemble, 第14週 12/15,12/17 8.8 Absorption of atoms on the surface sites. 8.9 The grand potential, 8.10 Problems. 9 Phase transitions： 9.1 Phases, 第15週 12/22,12/24 9.2 Thermodynamic potential, 9.3 Approximation. 9.4 First-order phase transition 9.5 Clapeyron equation. 第16週 12/29,12/31 9.5 Clapeyron equation, 9.6 Phase separation, 9.7 Phase separation in mixtures, 9.8 Liquid-gas system, 9.9 Problems. 第17週 1/05,1/07 final exam 第18週 student report student report