Journal article
Monolayer structure and evaporation resistance: A molecular dynamics study of octadecanol on water
The Journal of Physical Chemistry B, Vol.114(11), pp.3869-3878
2010
Abstract
This study examines intermolecular interactions of a monolayer of octadecanol (CH3(CH2)17OH) on water as a function of surface density and temperature, using classical molecular dynamics simulations. We observe increased interaction between the alkyl chains (van der Waals) and hydroxyl groups (H-bonding) with increased surface density, which leads to increased order and packing within the monolayer. We also identified clear trends in the intermolecular interactions, ordering and packing of the monolayer molecules as a function of temperature. The observed trends can be closely related to features of the current empirical theories of evaporation resistance.
Details
- Title
- Monolayer structure and evaporation resistance: A molecular dynamics study of octadecanol on water
- Authors/Creators
- D.J. Henry (Author/Creator) - Applied Physics, School of Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001 Australia, and Department of Chemical and Biomolecular Engineering, The University of Melbourne, Parkville, Victoria, 3010, AustraliaV.I. Dewan (Author/Creator) - Applied Physics, School of Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001 Australia, and Department of Chemical and Biomolecular Engineering, The University of Melbourne, Parkville, Victoria, 3010, AustraliaE. L. Prime (Author/Creator) - RMIT UniversityG.G. Qiao (Author/Creator) - RMIT UniversityD.H. Solomon (Author/Creator)I. Yarovsky (Author/Creator) - Applied Physics, School of Applied Sciences, RMIT University, GPO Box 2476 V, Victoria, 3001 Australia, and Department of Chemical and Biomolecular Engineering, The University of Melbourne, Parkville, Victoria, 3010, Australia
- Publication Details
- The Journal of Physical Chemistry B, Vol.114(11), pp.3869-3878
- Publisher
- American Chemical Society
- Identifiers
- 991005542657007891
- Copyright
- © 2010 American Chemical Society
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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- 2.190 Surfactants, Lipid Bilayers & Antimicrobial Peptides
- 2.190.254 Lipid Membranes
- Web Of Science research areas
- Chemistry, Physical
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