Handbook of Solvents - George Wypych - ChemTech - Ventech!

4.1 Simple solvent characteristics 117
This equation is used for the calculation of the enthalpy contribution to the Huggins
parameter (see Subchapter 4.2) for a polymer-solvent system:
2
[ ( ) ( )( ) ]
χH = V δ′ − δ′
1 1 2 + A1 −A2 D1 −D2
/ RT
[4.1.44]
where:
δ1′ , δ2′
dispersion-polar components of solubility parameters (values of solubility parameters
excluding H-bonds contributions).
Results of calculations using Eq. [4.1.44] of three-dimension dualistic model coincide
with the experimental values of χH and the χH values calculated by other methods. 37 Values
A, D, and δ′ can been obtained from IR-spectroscopy evaluations and Hansen’s parameters.
24,25 Values of the TDM parameters are presented in Tables 4.1.3, 4.1.4. It should be
noted that Hansen parameters are used for estimation of values of TDM parameters from
2 2 2 2
equation δ + δ = δ′ , δ = AD.
di pi i hi i i
Table 4.1.3. TDM parameters of some solvents. [Adapted, by permission, from
V.Yu. Senichev, V.V. Tereshatov , Vysokomol . Soed ., B31 , 216 (1989).]
# Solvent
D A δ′ δ V1×10 6
(MJ/m 3 ) 1/2
m 3 /mol
1 Isopropanol 11.8 13.3 20.0 23.6 76.8
2 Pentanol 9.9 11.2 19.7 22.3 108.2
3 Acetone 3.8 13.1 18.5 19.8 74.0
4 Ethyl acetate 4.9 10.4 17.0 18.3 98.5
5 Butyl acetate 4.8 9.0 16.4 17.6 132.5
6 Isobutyl acetate 4.8 8.4 15.7 16.9 133.3
7 Amyl acetate 4.7 7.8 16.2 17.3 148.9
8 Isobutyl isobutyrate 4.7 7.4 14.6 15.7 165.0
9 Tetrahydrofuran 5.2 12.2 17.7 19.4 81.7
10 o-Xylene 0.5 7.4 18.3 18.4 121.0
11 Chlorobenzene 0.6 7.3 19.3 19.4 102.1
12 Acetonitrile 2.7 14.0 24.4 24.5 52.6
13 n-Hexane 0 0 14.9 14.9 132.0
14 Benzene 0.6 8.5 18.6 18.8 89.4
15 N,N-Dimethylformamide 8.2 15.4 22.0 27.7 77.0
16 Toluene 0.6 7.8 18.1 18.2 106.8
17 Methanol 18.2 17.0 23.5 29.3 41.7
18 Ethanol 14.4 14.7 21.7 26.1 58.5