Course Information
Course title
Advanced Physical Chemistry (Ⅰ) (Chem. Thermodynamics)(Ⅰ) 
Semester
108-1 
Designated for
COLLEGE OF SCIENCE  DIVISION OF CHEMISTRY  
Instructor
CHUN-YI LU 
Curriculum Number
Chem7031 
Curriculum Identity Number
223EM1310 
Class
 
Credits
3.0 
Full/Half
Yr.
Half 
Required/
Elective
Required 
Time
Tuesday 6,7,8(13:20~16:20) 
Remarks
Restriction: MA students and beyond AND Restriction: within this department (including students taking minor and dual degree program)
The upper limit of the number of students: 50. 
Ceiba Web Server
http://ceiba.ntu.edu.tw/1081Chem7031_ 
Course introduction video
 
Table of Core Capabilities and Curriculum Planning
Table of Core Capabilities and Curriculum Planning
Course Syllabus
Please respect the intellectual property rights of others and do not copy any of the course information without permission
Course Description

This course will cover the following topics
(a) Review of the (macroscopic) thermodynamics
(b1) The basic concepts of the statistical mechanics. We will apply them to systems like dilute gas, atom vibration in solid, free electron in metals to calculate their internal energy.
(b2) The effects of the molecular interactions will be introduced. We will discuss the van der Waals' gas model, the electrolyte solution (Debye Huckel theory), the interface, the general idea of the 2nd order phase transition.
(c) Theory of Brownian motion (stochastic dynamics). Transition state theory.
 

Course Objective
To understand the thermal properties of the materials from the microscopic point of view. 
Course Requirement
Attend the lectures. Study the assigned textbook.  
Student Workload (expected study time outside of class per week)
 
Office Hours
Tue. 16:20~16:50 
Designated reading
David Chandler:
Introduction to modern statistical mechanics.
(Orford Univ. Press, 1987)
chapters 1-5 
References
1. Kerson Huang:
Statistical mechanics
chapters 1-2

2. H.B. Callen:
Thermodynamics and an introduction to thermostatistics
2nd ed. 1985

3. J.V. Selinger:
Introduction to the theory of soft matter
from ideal gases to liquid crystals
(2016)
You can get the e-book from NTU library link.

4. Donald A. McQuarrie:
Statistical mechanics
chapter 15

5. Mehran Kardar:
Statistical physics of particles
Statistical physics of fields
These two books are good for extension reading. (We will cover much less materials in this course.) 
Grading
 
No.
Item
%
Explanations for the conditions
1. 
mid term exam 
50% 
 
2. 
final exam 
50% 
 
 
Progress
Week
Date
Topic
Week 1
9/10  Thermodynamics (1)
Temperature, 1st law of thermodynamics, thermodynamic processes 
Week 2
9/17  Thermodynamics (2)
Carnot theorem, Clausius inequality, entropy, 2nd Law, Legendre transformation, Free energy, Maxwell relations

Suggested Exercises: 1.6, 1.8, 1.9, 1.15 
Week 3
9/24  Thermodynamics (3)
Euler’s theorem for homogeneous function
Gibbs Duhem relation
Clausius-Claperon equation
Maxwell’s equal area rule
Stability conditions 
Week 4
10/1  Thermodynamics (4)
Interface thermodynamics
Surface adsorption
Statistical mechanics (1)
Boltzmann’s equal probability assumption
Boltzmann’s entropy formula
Ideal gas entropy

Suggested Exercises: 1.14 2.4 2.9 2.10 2.15 2.19 2.25

 
Week 5
10/08  Exchange symmetry of the identical particles.
Fermion & Boson
Probability at constant T and the Boltzmann’s factor
Partition function and the Helmholtz free energy
Free energy of the deal gas
Equipartition theorem

Suggested Exercises: 3.6 3.7 3.9 3.14 3.15 
Week 6
10/15  Grand canonical ensemble
Gibbs entropy
Lagrange multiplier method
Fowler's method to derive the Boltzmann factor
free energy of the ideal diatomic gas

Suggested exercises: 4.13 4.24 
Week 7
10/22  ideal diatomic gas
symmetry factor of H2
chemical equilibrium & equilibrium constant
Einstein model of solid
1D lattice motion & frequencies

Suggested exercises: 4.3 4.4 4.15 4.16 4.24 
Week 8
10/29  occupation numbers,
3D phonon gas Cv~T^3,
photon gas energy,
non-interacting fermions,
non-interacting bosons,
classical ideal gases (the classical limit)

Suggested exercises: 4.1 4.5 4.16 4.26  
Week 9
11/05  midterm exam (closed book)
chapters 1-4 without the section 4.5 
Week 10
11/12  MO of e- in metals
nearly free electron model in metals
energy bands
Heat capacity of e- in metal
gas with interaction

Suggested exercises: 4.10 4.18 4.21 
Week 11
11/19  second virial coefficient
van der Waals equation
a and b coefficients 
Week 12
11/26  Debye Huckel theory for electrolyte solutions

Suggested Exercises: 15-21 15-35 of McQuarrie  
Week 13
12/03  Surface tension increment of the electrolyte solutions
Ising model
Free energy of the mean field Ising model
Graphic method for the mean field model
Critical temperature of the mean field Ising model
Mean field critical exponent beta of the Ising model

Suggested exercises: two problems in p.21 and p.22 of Selinger, 5.6 5.7 of Chandler 
Week 14
12/10  Models related to Ising model
1D Ising model solved by the transfer matrix method
Landau theory
Ginzburg Landau free energy
Variational calculus

Suggested exercises: Chandler 5.3 5.21 5.25 
Week 15
12/17  Variational calculus
Functional derivative
Correlation length in Ginzburg Landau theory
Surface tension close to the critical point
Dynamics of phase transitions
Spinodal decomposition & nucleation and growth
Critical radius of nucleation

Suggested exercises: two problems in p.86 of Selinger 
Week 16
12/24  Langevin equation
random force statistics
fluctuation dissipation theorem
integral equation for the probability evolution
Fokker Plank equation for P(v,t)
Smoluchowski equation for P(x,t)
rotation diffusion of a polar molecule under the applied AC electric field

Suggested exercise: Derive the Smoluchowski equation from the Langevin equation (without the inertia term) 
Week 17
12/31  Debye dipole relaxation
Cole-Cole plot
Barrier crossing process
Classical nucleation theory

Suggested exercise: Barrat Hansen p.255 
Week 18
1/07  Final exam (closed book)
Range: the course materials from 11 week-17 week