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- W2030762560 abstract "We simulated the interface between liquid water and a stationary phase of tethered n-C18 alkyl chains at a thermodynamic state of low pressure and water vapor−liquid coexistence. The interfacial water (oxygen atom) density profile so obtained is compared with a precisely defined proximal density of water molecules (oxygen atoms) conditional on the alkyl chain configurations. Though the conventional interfacial density profile takes a traditional monotonic form, the proximal radial distribution of oxygen atoms around a specific methyl (methylene) group closely resembles that for a solitary methane solute in liquid water. Moreover, this proximal radial distribution function is sufficient to accurately reconstruct the water oxygen density profile of the oil−water interface. These observations provide an alternative interpretation to collective drying or vaporization interpretations of commonly observed oil−water interfacial profiles for which water penetration into the interfacial region plays a role." @default.
- W2030762560 created "2016-06-24" @default.
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- W2030762560 date "2005-02-11" @default.
- W2030762560 modified "2023-10-14" @default.
- W2030762560 title "Deblurred Observation of the Molecular Structure of an Oil−Water Interface" @default.
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- W2030762560 doi "https://doi.org/10.1021/ja042600u" @default.
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