Effect of oxidation on the wettability of poly(dimethylsiloxane) surfaces

Schneemilch, M.; Quirke, N.
September 2007
Journal of Chemical Physics;9/21/2007, Vol. 127 Issue 11, p114701
Academic Journal
The wetting of amorphous poly(dimethylsiloxane) (PDMS) surfaces by water has been studied using molecular dynamics simulations. PDMS surfaces were generated by compressing a long PDMS chain between two elastic boundaries at atmospheric pressure. Oxidation of the PDMS surface, achieved in real systems by exposure to air plasma or corona discharge, was modeled by replacing methyl groups on the PDMS chain with hydroxyl groups. Three surfaces of varying degrees of oxidation were characterized by measuring the water contact angle and the roughness. The dependence of the microscopic contact angle on drop size was measured from time averaged density profiles. The macroscopic contact angle was measured directly using a cylindrical drop of infinite length with zero contact line curvature. The measured macroscopic contact angle ranged from approximately 125° on the untreated surface to 75° on the most oxidized surface studied. The line tension was found to increase with increasing degree of oxidation, from a negligible value on the untreated surface to approximately 5×10-11 J m-1 on the most heavily oxidized surface.


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