Polymers in Confined Geometry.pdf
Polymers in Confined Geometry.pdf
Polymers in Confined Geometry.pdf
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3.3. ANALYTICAL RESULTS 35<br />
x 2 (s/L) <br />
1.5e-05<br />
1e-05<br />
5e-06<br />
0<br />
0<br />
0.2<br />
Integral ansatz<br />
Series ansatz<br />
0.4<br />
Figure 3.6: Comparison of the mean-square undulations along the polymer x 2 (s/L) versus<br />
the contour length s/L obta<strong>in</strong>ed by Fourier <strong>in</strong>tegral and Fourier series (‘tracked ends’)<br />
calculation.<br />
Insert<strong>in</strong>g this transformation <strong>in</strong>to the Hamiltonian eq. (3.20) and us<strong>in</strong>g the<br />
equipartition theorem we arrives at (<strong>in</strong> comparison to eq. (3.25))<br />
s/L<br />
L<br />
〈xkxk ′〉 = 〈ykyk ′〉 = δkk ′<br />
2<br />
lp<br />
0.6<br />
0.8<br />
1<br />
.<br />
k4 −4<br />
(3.49)<br />
+ 4ld The back-transform—which is very tedious, and is not presented here—can<br />
be calculated exactly. We obta<strong>in</strong><br />
〈x(s)x(s ′ )〉 = L2<br />
2<br />
ɛ<br />
c 3<br />
1<br />
s<strong>in</strong>h <br />
c cos c − cosh c s<strong>in</strong> c<br />
cos 2c − cosh 2c<br />
· cosh(c − sc) s<strong>in</strong>(c − sc) s<strong>in</strong>h s ′ c cos s ′ c<br />
+ s<strong>in</strong>h(c − sc) cos(c − sc) cosh s ′ c s<strong>in</strong> s ′ c<br />
+ s<strong>in</strong>h c cos c + cosh c s<strong>in</strong> c <br />
· cosh(c − sc) s<strong>in</strong>(c − sc) cosh s ′ c s<strong>in</strong> s ′ c<br />
− s<strong>in</strong>h(c − sc) cos(c − sc) s<strong>in</strong>h s ′ c cos s ′ c<br />
<br />
1<br />
<br />
,<br />
(3.50)<br />
which is valid for s > s ′ , us<strong>in</strong>g besides the dimensionless parameters ɛ and c,<br />
the abbreviations sc = s/ld and s ′ c = s ′ /ld. For further calculations this is a<br />
very <strong>in</strong>convenient expression. To obta<strong>in</strong> more results an algebraic program like<br />
mathematica should be used.<br />
For s = s ′ the mean-square undulations are obta<strong>in</strong>ed, which is compared to<br />
eq. (3.27) <strong>in</strong> figure 3.6. The results for the <strong>in</strong>ner part of the polymer are identical.<br />
Due to the boundary conditions, the result obta<strong>in</strong>ed by Fourier series has to<br />
go to zero at the boundaries, <strong>in</strong> contrast to the Fourier <strong>in</strong>tegral solution, which<br />
stays constant. In the range of validity of the weakly-bend<strong>in</strong>g rod approximation