chapter 26 - radius of gyration calculations
DESCRIPTION
Chapter 26 - RADIUS OF GYRATION CALCULATIONS. 26:1. SIMPLE SHAPES. 26:2. CIRCULAR ROD AND RECTANGULAR BEAM. 26:5. GAUSSIAN POLYMER COIL. 26:6. THE EXCLUDED VOLUME PARAMETER APPROACH. y. z. y. R. r. R. q. r. f. x. H. x. y. r cos( f ). f. x. W. 26:1. SIMPLE SHAPES. - PowerPoint PPT PresentationTRANSCRIPT
Chapter 26 - RADIUS OF GYRATION CALCULATIONS
26:1. SIMPLE SHAPES
26:2. CIRCULAR ROD AND RECTANGULAR BEAM
26:5. GAUSSIAN POLYMER COIL
26:6. THE EXCLUDED VOLUME PARAMETER APPROACH
26:1. SIMPLE SHAPES
4
R
drdr
)d(cosdrr
drdr
rdrd)(cosr
R2
R
0
2π
0
R
0
2π
0
23
2π
0
R
0
2π
0
2R
0
2
2gx
1
1
1
1
2
0
R
0
2
0
R
0
22
2g R
5
3
drrd)sin(
r drrd)sin(
R
)RR(
)RR(
5
3drr4
)RR(4
3R
31
32
51
52
R
R
43
13
2
2g
2
1
Thin disk of radius R:
Sphere of radius R:
Spherical shell:
2
W/2
W/2
W/2
W/2
2
2gx 2
W
3
1
dx
dx x
R
Rectangular plate of width W:
x
y
z
R r
x
y
W
H
x
y
r cos()
rR
cylindrical coordinates
spherical coordinates
cartesiancoordinates
26:2. CIRCULAR ROD AND RECTANGULAR BEAM
Rod of radius R and length L:2222
2g 12
L
2
R
2
L
3
1
2
RR
Rectangular beam of width W, height H and length L :
2222
g 2
L
2
H
2
W
3
1R
Circular Rod
Rectangular Beam
26:5. GAUSSIAN POLYMER COIL
center of mass
i
j
n
i
2i
2g S
n
1R
ijij SSS
n
j,iji
n
j
2j
n
i
2i
n
j,i
2ij S.S2SnSnS
n
j,i
2ij2
n
j,i
2ij2
2g r
n2
1S
n2
1R
|ji|aS 22ij
6
na
n
)1n(
6
ak)
n
k(1
n
a|ji|
n2
aR
222n
k
2n
ji,2
22
g
naR 22n1
Radius of gyration:
End-to-end distance:
Inter-monomer distance:
Note that:
So that:
Radius of gyration:
a: is the segment length
n: is the degree of polymerization
Sijri
Si
26:6. THE EXCLUDED VOLUME PARAMETER APPROACH
222ij |ji|aS
n
j,i
22
2n
j,i
2ij2
2g |ji|
n2
aS
n2
1R
2
22n
k
2
n2)1)(2ν(2ν
ak )
n
k(1
n
a
Self-avoiding walk: = 3/5 5622
g na176
25R
Pure random walk: = 1/2 na2
1R 22
g
Self-attracting walk: = 1/3 3222g na
40
9R
For chains with excluded volume:
Radius of gyration:
12
L
12
nan
2)1)(2ν(2ν
aR
2222
22
g
Thin rigid rod of length L: = 1
COMMENTS
-- Linear plots and empirical models yield radii of gyration.
-- Modeling the radius of gyration is important for data analysis.