|
Tgolig=Tg-k/Mn,
Tgolig Tg of oligomer, Tg of polymer, k constant for
a polymer structure, Mn Number average MW,
|
|
Viscosity of the oligomer is
calculated using the WLF equation according to: L. E. Nielsen,
Polymer and Rheology, Marcel Dekker 1977, pp 33, 74, 133
|
|
|
|
|
|
Data to be entered
|
Results
|
|
|
|
|
|
Structure
|
|
Number
|
|
|
|
|
Aliphatic
|
Abbreviation
|
Moles
|
|
|
|
27
|
|
acetylene
|
|
|
|
|
16
|
|
dimethyl
|
|
|
|
|
38
|
|
dimethylsilane
|
|
|
|
|
2
|
|
ethylene
|
|
|
|
|
3
|
|
ipropyl
|
|
|
|
|
1
|
|
methylene
|
|
|
|
|
4
|
|
tbutyl
|
|
|
|
|
24
|
|
unsaturated_cis
|
|
|
|
|
25
|
|
unsaturated_methyl_cis
|
|
|
|
|
25a
|
|
unsaturated_methyl_trans
|
|
|
|
|
24a
|
|
unsaturated_trans
|
|
|
|
|
|
Aromatic
|
|
|
|
|
|
35
|
|
anthracene
|
|
|
|
|
60
|
|
benzophenone
|
|
|
|
|
55
|
|
biphenyl
|
|
|
|
|
58
|
|
diphenylether
|
|
|
|
|
57
|
|
diphenylsulfide
|
|
|
|
|
59
|
|
diphenylsulfone
|
|
|
|
|
61
|
|
isopropylidenediphenyl
|
|
|
|
|
17
|
|
methylenediphenyl
|
|
|
|
|
56
|
|
methyl_phenyl
|
|
|
|
|
8
|
|
methylphenyl
|
|
|
|
|
30
|
|
mphenyl
|
|
|
|
|
34
|
|
naphthalene
|
|
|
|
|
29
|
|
ophenyl
|
|
|
|
|
7
|
|
phenyl
|
|
|
|
|
22
|
|
phenylene
|
|
|
|
|
31
|
|
pphenyl
|
|
|
|
|
32
|
|
pphenyl_dimethyl
|
|
|
|
|
33
|
|
pphenyl_diphenyl
|
|
|
|
|
|
Cycloaliphatic
|
|
|
|
|
|
6
|
|
cyclohexane
|
|
|
|
|
5
|
|
cyclopentane
|
|
|
|
|
23
|
|
1,4-cyclohexane
|
|
|
|
|
|
Functional
|
|
|
|
|
|
44
|
|
amide
|
|
|
|
|
9
|
|
hydroxyl
|
|
|
|
|
|
Polar-oxygen-sulfur
|
|
|
|
|
|
12
|
|
acrylester
|
|
|
|
|
45
|
|
anhydride
|
|
|
|
|
39
|
|
carbonate
|
|
|
|
|
43
|
|
ester
|
|
|
|
|
36
|
|
ether
|
|
|
|
|
28
|
|
ketone
|
|
|
|
|
10
|
|
methoxy
|
|
|
|
|
18
|
|
meth_acrylic_ester
|
|
|
|
|
37
|
|
sulfide
|
|
|
|
|
46
|
|
sulfone
|
|
|
|
|
11
|
|
vinyl_ester
|
|
|
|
|
|
Polar-nitrogen
|
|
|
|
|
|
13
|
|
nitrile
|
|
|
|
|
41
|
|
urea
|
|
|
|
|
40
|
|
urethane
|
|
|
|
|
|
Halogen
|
|
|
|
|
|
15
|
|
chloride
|
|
|
|
|
20
|
|
chloride_fluoride
|
|
|
|
|
21
|
|
dichloride
|
|
|
|
|
19
|
|
difluoride
|
|
|
|
|
14
|
|
fluoride
|
|
|
|
|
26
|
|
unsaturated_chloride
|
|
|
|
|
|
Heterocycle
|
|
|
|
|
|
51
|
|
benzimidazole
|
|
|
|
|
53
|
|
benzobisthiazole
|
|
|
|
|
54
|
|
benzodioxazole
|
|
|
|
|
42
|
|
pyromellitic_dimide
|
|
|
|
|
47
|
|
oxadiazole
|
|
|
|
|
50
|
|
phthalimide
|
|
|
|
|
52
|
|
benz_bisimidazole
|
|
|
|
|
48
|
|
thiadiazole
|
|
|
|
|
49
|
|
thiazole
|
|
|
|
|
|
|
|
|
|
|
|
|
Total Moles of Polymer Fractions
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Polymer
|
|
|
|
|
|
|
Molar Mass, repeating monomer {M}
|
|
|
|
|
|
|
Molar Number Backbone Atoms {Z}
|
|
|
|
|
|
Molar Volume (van der Waals), cm3.mol-1 {Vw}
|
|
|
|
|
|
Specific gravity, g/cm3 {M}/{V}
|
|
|
|
|
|
Glass transition temperature 1000*{Yg}/{M}, °K
|
|
|
°C
|
|
|
Melt transition temperature 1000*{Ym}/{M}, °K
|
|
|
°C
|
|
|
Specific heat capacity {Cps}/{M}
|
|
|
|
|
|
Specific heat capacity {Cpl}/{M}
|
|
|
|
|
|
Cohesive energy density, Ecoh kJ.mol-1
|
|
|
|
|
|
Solubility Parameter, cal½cm-3/2
|
|
|
|
|
|
Oligomer
|
|
|
|
|
|
Oligomer Molecular Weight
|
|
|
|
|
|
Oligomer K 10000x
|
k can vary from 3x104 to
5x104
|
|
|
|
|
|
Oligomer Glass transition temperature 1000*{Yg}/{M}, °K
|
|
|
°C
|
|
|
Temperature of oligomer, °C
|
|
|
|
|
|
Oligomer Viscosity, Poise log
If Viscosity log >6.0 polymer is probably a solid
|
|
|
|
|
|
Oligomer Viscosity, Poise
|
|
|
|
|
|
Oligomer Viscosity, cps
|
|
|
|