Journal article
Dewetting-induced collapse of hydrophobic particles
Proceedings of the National Academy of Sciences of the United States of America, Vol.100(21), pp.11953-11958
10/14/2003
DOI: 10.1073/pnas.1934837100
PMCID: PMC218694
PMID: 14507993
Abstract
A molecular dynamics study of the depletion of water (drying) around a single and between two hydrophobic nanoscale oblate plates in explicit water as a function of the distance of separation between them, their size, and the strength of the attraction between the plates and the water molecules is presented. A simple macroscopic thermodynamic model based on Young's law successfully predicts drying between the stacked plates and accounts for the free-energy barriers to this drying. However, because drying around a single plate is not macroscopic, a molecular theory is required to describe it. The data are consistent with the rate-determining step in the hydrophobic collapse of the two plates being a large-scale drying fluctuation, characterized by a free-energy barrier that grows with particle size.
Details
- Title: Subtitle
- Dewetting-induced collapse of hydrophobic particles
- Creators
- X Huang - Department of Chemistry and Center for Bimolecular Simulation, Columbia University, New York, NY 10027C. J Margulis - Department of Chemistry and Center for Bimolecular Simulation, Columbia University, New York, NY 10027B. J Berne - Department of Chemistry and Center for Bimolecular Simulation, Columbia University, New York, NY 10027
- Resource Type
- Journal article
- Publication Details
- Proceedings of the National Academy of Sciences of the United States of America, Vol.100(21), pp.11953-11958
- DOI
- 10.1073/pnas.1934837100
- PMID
- 14507993
- PMCID
- PMC218694
- NLM abbreviation
- Proc Natl Acad Sci U S A
- ISSN
- 0027-8424
- eISSN
- 1091-6490
- Publisher
- National Academy of Sciences
- Language
- English
- Date published
- 10/14/2003
- Academic Unit
- Chemistry
- Record Identifier
- 9983985992302771
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