物化（三）text book for next semester)atkins' physical chemistry 7th edition, atkins and paula,...
TRANSCRIPT
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Reference books:Physical Chemistry 2nd edition, Engel and Reid, Pearson 2010
Physical Chemistry, McQuarrie and Simon, 1997
Atkins' Physical Chemistry 7th edition, Atkins and Paula, 2002
Text book: Physical Chemistry 3rd edition, Mortimer, 2008
(text book for next semester)
Homework 20% Midterm-I 15%Midterm-II 20%Midterm-III15%Final 30%
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Physical Chemistry I (PChemI)
V
P
Many molecules in box
State of Equation
2T
1T
12 TT >>
( ) nRTnbVVanP =
+ 2
2
2nRTPV =
Van Der Waals equation
Ideal gas equation
Why is V2, not V3
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Physical Chemistry II (PChemII)
One molecule in box
Energy is discrete
Schrdinger equation
kkk EH =Te
mpe
ratu
re
time
Infinite molecules Classical Quantum
One molecule
Pure quantum
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Physical Chemistry III (PChemIII)
kkk EH =
From one to infinite molecules
( ) nRTnbVVanP =
+ 2
2
Partition function
=
k B
kTk
EQ exp
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Introduction Classical harmonic oscillator Classical wave Maxwell electromagnetic wave
I. Origins of quantum mechanics I. Origins of quantum mechanics
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Particle
II--1. Introduction1. Introduction
Wave
Newton equation
2
2
dtdm
dtdmm rvaF === 2
2
22
2 1tf
vxf
=
Wave equation
2 2
22V
dxd
mti +=
Schrdinger equationGalileo once wrote The book of nature is written in the language of mathematics.
Wave and particle
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Energy conservation
One-dimensional examplePotential energy ( )xxVF
=
( )txx =
( )dtdvm
dxxdV
=Newton equation ( ) dtdtdvmdt
dxxdV
=
( ) mvdvxdV = =v
v
V
VmvdvdV
00
Upper limit represents time at any tLower limit 0 represents time at t0
020
221
21 VmvVmv +=+
constVmvE =+= 221
Total energy Kinetic energy Potential energy
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2
2
dtxdm
dtdvmmaF ===
SI -- Units
mtx Meter = m
Second = s
Kilogram = kgmass
time
distance
force F Kg m/s2 = Newton=N
Energy2
21 mvT = Kg m2 /s2 = Nm=Joule=J
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( )2
11 2 1 0 1 2 0
d xF k x x l md t
= = >
( ) 02 22
20122
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Coordinate transformation
022
=dtXd
012
21
2211
lxxxmmxmxmX
=++
=
0== constdtdX
set up center-of-mass at origin
022
=+ xkdtxd
000 =+= XtvX Reduced mass
21
21
mmmm+
=
Solved
Center-of-mass coordinate
Relative coordinate
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000000
)( 0
>