Coarse-Grained Force Fields Built on Atomistic …
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Table 5
Density, surface tension and radius of gyration as functions of polarization degree (PD) for PDMS at 300 K and PEO at 326 K
PD
PDMS
PEO
Density (g/cm 3
)
Surface tension (mN/m) R
g (Å)
Density (g/cm 3
)
Surface tension (mN/m) R
g (Å)
CG
Exp
CG
Exp
CG
AA
CG
Exp
CG
Exp
CG
AA
12
0.928(0.003)
0.929
19.1(3.5)
19.6
6.7
6.4
1.045(0.001)
38.9(3.2)
7.1
7.3
22
0.951(0.001)
0.949
21.3(3.3)
8.6
8.7
1.080(0.002)
39.7(2.7)
10.5
10.3
52
0.965(0.002)
0.970
20.1(3.3)
11.5
12.1
1.106(0.001)
1.107
40.9(3.3)
40.7
16.2
16.4
100
0.970(0.001)
21.4(3.6)
16.8
17.2
1.112(0.002)
1.115
42.3(2.8)
18.1
17.5