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SURFACE TENSION HELP
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Allows the prediction of surface tension values for various organic compounds. It uses the Sugden equation and group contribution values.
Sugden Equation used :
@ = [[(Pch(Pl – Pv))/M)]^4 ]10^-12
@ = surface tension, mJ/m^2
Pch = Sugden’s parachor
Pl = liquid density, kg/m^3
Pv = density of the saturated vapor, kg/m^3
M = molecular weight
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Method of use :
From compound structure enter number of times each
element exists in the compound. I.e. if C appears 6 times then enter 6 in the text box along side the C element.
Once this is completed for each
element/structure, enter liquid density, density of saturated vapor and
molecular weight. Calcutions of Sugdens parachor value and surface tension occur on every user input/data change
and displayed.
Calculations created and displayed with every number input/change.
Contributions of each group are :
C Contribution : 4.8
H Contribution : 17.1
H in (OH) Contribution : 11.3
O Contribution : 20.0
O2 Contribution : 60.0
N Contribution : 12.5
S Contribution : 48.2
P Contribution : 37.7
F Contribution : 25.7
Cl Contribution : 54.3
Br Contribution : 68.0
I Contribution : 91.0
Se Contribution : 62.5
Si Contribution : 25.0
Al Contribution : 38.6
Sn Contribution : 57.9
As Contribution : 50.1
Doble bond: terminal 2,3-position Contribution : 23.2
Doble bond: terminal 3,4-position Contribution : 23.2
Triple bond Contribution : 46.6
Rings 3-membered Contribution : 16.7
Rings 4-membered Contribution : 11.6
Rings 5-membered Contribution : 8.5
Rings 6-membered Contribution : 6.1