Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/2869
Title: On the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation
Authors: DELEUZE, Michael 
Denis, JP
Delhalle, J
Issue Date: 2000
Publisher: ELSEVIER SCIENCE BV
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 501. p. 535-538
Abstract: The striking 10 degrees difference observed between contact angles of water for surfaces exposing methyl and methylene groups is investigated at the molecular level by comparing the relative binding energies (RHF/6-31G) of the H2O/nonane bimolecular complex for different docking directions. Of the attempts considered, it is found that the water molecule binds preferentially to methylene moieties, while the methyl group is the least favourable site. (C) 2000 Elsevier Science B.V. All rights reserved.
Notes: Limburgs Univ Ctr, Dept SBG, B-3590 Diepenbeek, Belgium. Fac Univ Notre Dame Paix, Lab Interdisciplinaire Spect Elect, B-5000 Namur, Belgium.Deleuze, M, Limburgs Univ Ctr, Dept SBG, Univ Campus, B-3590 Diepenbeek, Belgium.
Keywords: saturated hydrocarbons; supernatant water; molecular interactions; contact angles; wetting
Document URI: http://hdl.handle.net/1942/2869
ISI #: 000087541100059
Category: A1
Type: Journal Contribution
Validations: ecoom 2001
Appears in Collections:Research publications

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