Adhesion between graphite and modified polyester surfaces: A theoretical study
Henry, D.J., Yiapanis, G., Evans, E. and Yarovsky, I. (2005) Adhesion between graphite and modified polyester surfaces: A theoretical study. The Journal of Physical Chemistry B, 109 (36). pp. 17224-17231.
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This study examines the adhesion of graphite to functionalized polyester surfaces using a range of qualitative and quantitative measures of theoretical adhesion. Modifications to the polyester surfaces include the addition of hydroxyl, carboxyl, or fluorine substituents with coverages of 0.4 and 0.9 groups per nm2. In each case, the introduction of substituents to the surface of the polyester was calculated to lead to reduced adhesion to graphite. Effects of surface relaxation on adhesion are studied by employing different simulation protocols. The theoretical results suggest one mechanism to reduce adhesion to carbonaceous solids is to increase atomic roughness using strongly hydrophilic or alternatively strongly hydrophobic substituents.
|Publication Type:||Journal Article|
|Publisher:||American Chemical Society|
|Copyright:||© 2005 American Chemical Society|
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