Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces

Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces

Detailed hydrophobicity and lipophilicity charts of the surfaces of crystalline cellulose Iβ are produced by using atomistic molecular dynamics simulations. They reveal patterns of possible sites for the adsorption of hydrophilic and apolar groups of organic adsorbents. The picture shows the simulat...

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Veröffentlicht in:Angewandte Chemie International Edition 2001-10, Vol.40 (20), p.3822-3825
Hauptverfasser: Biermann, Oliver, Hädicke, Erich, Koltzenburg, Sebastian, Müller-Plathe, Florian
Format: Artikel
Sprache:eng
Schlagworte:
cellulose
hydration
hydrophobic effect
molecular dynamics
surface chemistry
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Beschreibung
Zusammenfassung:Detailed hydrophobicity and lipophilicity charts of the surfaces of crystalline cellulose Iβ are produced by using atomistic molecular dynamics simulations. They reveal patterns of possible sites for the adsorption of hydrophilic and apolar groups of organic adsorbents. The picture shows the simulated distribution of water molecules over a chain of a crystalline 110 surface of cellulose (center; above and below this range lies the bulk water).
ISSN:1433-7851
1521-3773
DOI:10.1002/1521-3773(20011015)40:20<3822::AID-ANIE3822>3.0.CO;2-V