Chemistry Reference
In-Depth Information
Table 2 PC SAFT pure component parameters of polymers
Polymer
s
(
˚
)
m
/
M
(mol/g)
e
/
k
(
K
)
N
*
e
AA
/
k
(K)
k
AA
References
LDPE
0.0263
4.0127
249.5
[
25
]
HDPE
0.0263
4.0127
252.0
[
25
]
Poly(propylene)
0.02305
4.10
217.0
[
25
]
Poly(1 butene)
0.014
4.20
230.0
[
25
]
Poly(isobutene)
0.02350
4.10
265.5
[
25
]
Polystyrene
0.0190
4.1071
267.0
[
25
]
Poly(methyl acrylate)
0.0309
3.50
243.0
[
42
]
Poly(methyl methacrylate)
0.0262
3.60
245.0
[
42
]
Poly(ethyl acrylate)
0.0271
3.65
229.0
[
42
]
Poly(propyl acrylate)
0.0262
3.80
225.0
[
42
]
Poly(butyl acrylate)
0.0259
3.59
224.0
[
42
]
Poly(butyl methacrylate)
0.0268
3.75
233.8
[
42
]
Poly(vinyl acetate)
0.03211
3.3972
204.65
[
26
]
Poly(acrylic acid)
0.016
4.20
249.5
2
2,035
0.33584
[
43
]
Poly(methacrylic acid)
0.024
3.70
249.5
2
2,610
0.07189
[
43
]
Poly(dimethyl siloxane)
0.0346
3.382
165.0
[
44
]
N*
number of association sites per monomer unit
Table 3 PC SAFT pure component parameters of solvents used in this chapter
Solvent
s
(
˚
)
m
/
M
(mol/g)
e
/
k
(K)
References
Ethene
0.05679
3.4450
176.47
[
24
]
Ethane
0.05344
3.5206
191.42
[
24
]
Propylene
0.04657
3.5356
207.19
[
24
]
Propane
0.04540
3.6184
208.11
[
24
]
1 Butene
0.04075
3.6431
222.00
[
24
]
Butane
0.04011
3.7086
222.88
[
24
]
Pentane
0.03728
3.7729
231.2
[
24
]
Carbon dioxide
0.04710
2.7852
169.21
[
24
]
Methylmethacrylate
0.03060
3.6238
265.69
[
45
]
Toluene
0.03055
3.7169
285.69
[
24
]
experimental data for toluene, m-xylene, ethylbenzene, and mesitylene can also be
described using very small values for the binary parameters
k
ij
.
This approach was proven also for other equations of state, like for example PC-
SAFT. Fitting polymer parameters to liquid densities of the polymer and to one binary
polymer/solvent system is an establishedmethod for determining polymer parameters.
Table
2
summarizes the so-determined PC-SAFT parameters for a series of polymers.
PC-SAFT parameters for solvents used in this work can be found in Table
3
.
4 Modeling of Homopolymer Systems
As an example for modeling of a vapor liquid equilibrium in a polymer/solvent
system, Fig.
6
shows the results for the polyethylene/toluene binary mixture.
The experimental data shown were determined for two different (relatively low)
