課程資訊
課程名稱
高等物理化學一
Advanced Physical Chemistry (Ⅰ) (chem. Thermodynamics) 
開課學期
101-1 
授課對象
理學院  化學所化學組  
授課教師
許昭萍 
課號
Chem7031 
課程識別碼
223 M1310 
班次
 
學分
全/半年
半年 
必/選修
必修 
上課時間
星期三6,7,8(13:20~16:20) 
上課地點
化121 
備註
本課程中文授課,使用英文教科書。外系所學生選修需經授課教師同意。
限碩士班以上
總人數上限:50人 
Ceiba 課程網頁
http://ceiba.ntu.edu.tw/1011Chem7031_8031 
課程簡介影片
 
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課程概述

Thermodynamics is a subject that investigate the relationship among macroscopic observables; while statistical mechanics . In the first part of this course, we will review quickly the basic thermodynamics and then move to the ensemble theory of statistical thermodynamics. With these, we will then talk about applications of the basic principles to ideal gases, classical and quantum, and solids. In the second part of this course, other topics such as Monte-Carlo simulation, renormalization group, classical simple liquids and non-equilibrium phenomenon will be addressed. 

課程目標
This course aims to introduce basic concepts of equilibrium statistical mechanics for physical chemistry in the graduate level. 
課程要求
 
Office Hours
 
參考書目
References:

2. Statistical Mechanics, Donald Allan McQuarrie, University Science Books; 2
edition.
3. States of Matter, David L. Goodstein.
4. Thermal and Statistical Physics, Harvey Gould and Jan Tobochnik.
5. Statistical Physics of Particles, M. Kardar. 
指定閱讀
 
評量方式
(僅供參考)
   
課程進度
週次
日期
單元主題
第1週
9/12  Class setup. Introductory information. Basic probability and statistics: Binomial distribution, Gaussian distribution. 
第2週
9/19  Basic probability and statistics: Gaussian distribution, Poisson distribution. Classical Mechanics 
第3週
9/26  Classical Statistical Mechanics</br> Microcannonical ensemble 
第4週
10/03  Special topic: Legendre transformation</br> from http://arxiv.org/abs/0806.1147</br> Mcrocannonical ensemble</br> Cannonical ensemble 
第5週
10/10  Holiday,No class 
第6週
10/17  Thermodynamic quantities and their relationships to statistical ensembles Cannonical ensemble 
第7週
10/24  other ensemble, applications to molecules and reactions 
第8週
10/31  No class (Due to Cherri's work schedule) 
第9週
11/07  Isobaric Ensemble and applications 
第10週
11/14  Midterm 
第11週
11/21  Grand Canonical ensemble; Quantum mechanics and statistics 
第12週
11/28  Free energy calculation </br>Quantum mechanics and statistics </br> ---------------------------------------------------</br> PS5 out</br> Lecture 11, <a href="http://www.nyu.edu/classes/tuckerman/stat.mech/lectures.html">Tuckerman's lecture notes</a><a href="http://www.nyu.edu/classes/tuckerman/stat.mech/lectures.html"> </a></br> <a href="http://hyperphysics.phy-astr.gsu.edu/hbase/quantum/qm.html">The Postulates of Quantum Mechanics </a></br> Chapters 9-10, Tuckman's book. 
第13週
12/05  Quantum statistics</br>(Chapter 10-11)</br>(Mc Quarrie's book, chapter 6)</br>(materials from Gaussian Inc.)</br> Nonequilibrium Statistical Mechanics -Brownian motion </br> Will use Zwanzig's book "Nonequilibrium Statistical Mechanics".</br> ---------------------------------------------</br> PS5 due (Sodia Grades) </br> PS6 out</br> <a href="http://idv.sinica.edu.tw/berrylab/courses/statmech101/h2o.com">Input</a> and <a href="http://idv.sinica.edu.tw/berrylab/courses/statmech101/h2o.log">output</a> files for the Gaussian job used in PS6. 
第14週
12/12  Nonequilibrium Statistical Mechanics -Stochastic processes: Langevin Equation 
第15週
12/19  Nonequilibrium Statistical Mechanics</br> -Generalized Langevin Equation</br> -Reaction rates</br> -------------------------------------</br> PS7 out</br> Eli Pollak's work on Kramer's theory.</br> Chapters 1,2 and 4 of Zwanzig's book. (Ceiba) 
第16週
12/26  Nonequilibrium Statistical Mechanics -Fluctuation-Dissipation Theorem 
第17週
1/02  Stochastic theory of nonequilibrium steady states in reaction kinetics 
第18週
1/09  Final Exam