Supporting Information
Hydrodynamic properties and conformation of Poly(3-hexylthiophene) in dilute
solutions
Aleksander V. Yakimanskii,1,2 Stanislav V. Bushin,1 Marina A. Bezrukova,1 Aleksej A. Lezov,3 Alexander
S. Gubarev,3 Elena V. Lebedeva,3 Lilija I. Akhmadeeva,3 Anna N. Podseval`nikova,3 Nikolaj V. Tsvetkoя,3
Guy Koeckelberghs,4 Andre Persoons4
1
Institute of Macromolecular Compounds, Russian Academy of Sciences, Bolshoy prospect 31, St.
Petersburg, 199004 Russia
2
Kuznetsov Siberian Physico-Technical Institute, Tomsk State University, Novosobornaya square 1,
Tomsk, 634050 Russia
3
Department of Physics, St. Petersburg State University, Ul`janovskaja street 1, St. Petersburg, 198504
Russia
4
Department of Chemistry, Katholieke Universiteit Leuven, Celestijnenlaan 200D, 3001 Heverlee,
Belgium
Correspondence to: A. V. Yakimanskii (E-mail: yakimansky@yahoo.com)
Experimental data approximation, determination of conformation parameters of P3HT macromolecules
is done in following steps:
STEP 1.Equations (5) and (6), written for contour length - L and hydrodynamic chain diameter – d, were
combined to obtain relation L/d or d/L
4𝑀 ̅
𝑑 = √𝜆𝑁0
𝐴
𝐿=
𝑀𝑠𝐷
𝜆
𝑀0
𝐿
}𝑑 = (
𝑀𝑠𝐷
𝑀0 ̅ 3/2
𝑁𝐴
√
4
) 𝜆3/2
STEP 2. Equation (7) was rewritten in terms of diffusion coefficient D, with the accordance to the
Einstein equation:
3𝜂0 𝐿
𝑓
𝐿
=  (𝑑)
3𝜂0 𝐷0 𝐿
3𝜂0 𝐷0 𝑀𝑠𝐷 𝜆
𝐿
𝜂 𝐷0 𝑀𝑠𝐷
1 𝑀
𝐿
=
=  (𝑑) 0 𝑘𝑇
= 3 𝜆0  (𝑑)
}  𝑘𝑇
𝑘𝑇
𝑘𝑇
𝑀0
𝑓= 𝐷
STEP 3. Relation L/d, obtained in STEP 1 was pasted in the following equation
𝜂0 𝐷0 𝑀𝑠𝐷
𝑘𝑇
1 𝑀0
𝐿
 (𝑑)
𝜆
= 3
𝜂0 𝐷0 𝑀𝑠𝐷
1 𝑀0
𝑀𝑠𝐷
𝑁𝐴 3/2
√
=
 ((
)𝜆 )
𝑘𝑇
3 𝜆
4
𝑀0 ̅ 3/2
1
STEP 4. By the linear approximation of the experimental dependences of
𝜂0 𝐷0 𝑀𝑠𝐷
𝑘𝑇
vs. MsD, using obtained
on STEP 3 equation, in low molecular masses region (fig. 7 dark points) the length of the
projection of the monomer unit in the direction of the main polymer chain λ was determined.
STEP 5. Parameters 𝐿 =
𝑀𝑠𝐷
𝜆
𝑀0
4𝑀 ̅
and 𝑑 = √𝜆𝑁0 was calculated, using obtained on STEP 4 λ value.
𝐴
STEP 6. Equation 5 was rewritten in terms of diffusion coefficient D0, analogical operation was done in
STEP 3.
3𝜂0 𝐿
𝑓
= 𝑓 (𝐿, 𝐴, 𝑑) 
𝜂0 𝐷𝑀𝑠𝐷
𝑘𝑇
1 𝑀0
 (𝐿, 𝐴, 𝑑)
𝜆 𝑓
= 3
In obtained equation only A parameter is unknown. All range of experimental points, presented
on fig.7, was used to determine A. Analytical view of𝑓 (𝐿, 𝐴, 𝑑) is presented below.
Calculation of viscous friction coefficient f of worm-like cylinder within the whole range of L/A and L/d
values which is of practical interest.
In the region of L / A  2.278
30 L / f  C1 ln( L / d )  C2  C3 ( L / A)  C4 ( L / A) 2  C5 ( L / A)3  C6 ( L / A) 4  C7 ( L / A)5  ... ,
where
C1  1
C2  0.3863  0.6863(d / L)  0.06250(d / L)2  0.01042(d / L)3  0.000651(d / L)4  0.0005859(d / L)5  ...
C3  0.1667  0.06838(d / L) 2  0.02083(d / L)3  0.01693(d / L) 4  0.008594(d / L)5  ...
C4  0.01111  0.07917(d / L)2  0.1799(d / L)3  0.1055(d / L)4  0.02461(d / L)5  ...
C 5  0.001058  0.004960(d / L) 2  0.001653(d / L) 3  0.07348(d / L) 4  0.03281(d / L) 5  ...
C6  0.0001587  0.0007275(d / L) 2  0.0003638(d / L)3  0.08630(d / L) 4  0.4000(d / L)5  ...
C7  0.00003848  0.0001714(d / L) 2  0.0001142(d / L)3  0.006183(d / L) 4  0.002897(d / L)5  ...
In the region of L / A  2.278
30 L / f  B1 ( L / A) 1 / 2  B2  B3 ( A / L) 1 / 2  B 4 ( A / L)  B5 ( A / L) 3 / 2 , where
B1  (4 / 3)(6 ) 1 / 2  (3 / P )  1.843
B2  [1  0.01412(d / A) 2  0.00592(d / A) 4 ] ln( A / d )  1.0561  0.1667(d / A)  0.1900(d / A) 2 
 0.0224(d / A) 3  0.0190(d / A) 4
2
B3  0.1382  0.6910(d / A) 2
B4  [0.04167(d / A) 2  0.00567(d / A) 4 ] ln( A / d )  0.3301  0.5(d / A)  0.5854(d / A) 2 
 0.0094(d / A) 3  0.0421(d / A) 4
B5  0.0300  0.1209(d / A) 2  0.0259(d / A) 4
3