| The spontaneous curvature of the water-hydrophobe interface. | |
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MedLine Citation:
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PMID: 23039614 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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The temperature-dependent solvation of hydrophobic solutes in water is investigated by large-scale molecular dynamics simulations. A simultaneous fit of solvation free energies for spheres and cylinders with radii up to R = 2 nm yields a negative Tolman length on the order of 1 Å at room temperature, equivalent to a spontaneous curvature that favors water droplets over cavities. Pronounced crossover effects of the surface free energy are analyzed in terms of higher-order curvature corrections and water-discreteness effects. |
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Authors:
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Felix Sedlmeier; Roland R Netz |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 137 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2012 Oct |
Date Detail:
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Created Date: 2012-10-08 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 135102 Citation Subset: IM |
Affiliation:
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Physik Department, Technische Universität München, 85748 Garching, Germany and Fachbereich Physik, Freie Universität Berlin, 14195 Berlin, Germany. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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