Journal ArticleDOI
Investigation of the depth of preferential surface ordering in liquids: A photoelectron spectroscopic investigation of liquid mixtures
V. Bindu,T. Pradeep +1 more
TLDR
In this paper, angle resolved x-ray photoelectron spectroscopic studies of a series of liquid mixtures of a perfluoropolyether (Krytox 16350) and a polyphenylether (Santovac-5) show that the former spreads on the latter and the film thickness could even be smaller than the photoelectram mean free path.Abstract:
Angle resolved x-ray photoelectron spectroscopic studies of a series of liquid mixtures of a perfluoropolyether (Krytox 16350) and a polyphenylether (Santovac-5) show that the former spreads on the latter and the film thickness could even be smaller than the photoelectron mean free path. The molecular ordering in krytox remain as that of the free liquid which is manifested in the enhancement of the relative intensity of specific features in the photoelectron spectrum as the electron take-off angle is decreased. The preferential ordering is limited to the very top and an upper limit of this thickness is estimated to be about 8 A. This observation is in accordance with molecular dynamics simulations of long chain hydrocarbon liquids.read more
Citations
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Tilted orientation of molecular chains at the surface of a series of perfluoropolyether liquids: an X-ray photoelectron spectroscopic investigation
V. Bindu,K. Smitha,T. Pradeep +2 more
TL;DR: Angle resolved X-ray photoelectron spectroscopic (XPS) studies of a series of perfluoropolyethers of general formula F[CF(CF3)CF2O] n CF2CF3, where n = 27, 65, and >70, show that there is preferential ordering of-CF3 groups at the liquid surfaces as discussed by the authors.
Journal ArticleDOI
Computational Investigation of Lithium-Ion Transport Mechanisms in Perfluoropolyether Polymers
Yukiko Kamikawa,Koji Amezawa +1 more
TL;DR: In this article , the coordination structures and diffusion in PFPEs terminated with hydroxyl or carboxyl moieties and poly(ethylene oxide) (PEO) embedded with lithium and bis(trifluoromethylsulfonyl)imide ions were characterized using molecular dynamics.
References
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TL;DR: In this article, Monte Carlo and molecular dynamic simulations of the surface of a system of Lennard-Jones (12, 6) molecules have been carried out at temperatures which span most of the liquid range, showing that the density profile, as a function of height, falls monotonically from the density of the bulk liquid to that of gas.
Journal ArticleDOI
An experimental determination of absolute half‐cell emf’s and single ion free energies of solvation
TL;DR: In this paper, the authors defined the concept of absolute halfcell emf as VMS−φM for the reaction M→M+(solution)+e−(M), where VMS is the electrostatic potential difference between metal electrode and solution and φM the work function of metal in contact with solution.
Journal ArticleDOI
Liquid-vapor interfaces of alkane oligomers: structure and thermodynamics from molecular dynamics simulations of chemically realistic models
TL;DR: In this paper, the authors used molecular dynamics simulations to predict the equilibrium liquid-vapor interface structure and surface tension of n-alkanes decane and eicosanes, C 10 H 22 and C 20 H 42, respectively.
Journal ArticleDOI
Nonlinear optical studies of the pure liquid/vapor interface: Vibrational spectra and polar ordering
TL;DR: This is the first vibrational spectrum ever observed from a neat liquid surface and it is concluded that the surface methanol molecules are polar oriented with the CH{sub 3} group pointing away from the liquid with a very broad orientational distribution.
Journal ArticleDOI
Application of ESCA to polymer chemistry. XVI. Electron mean free paths as a function of kinetic energy in polymeric films determined by means of ESCA
David T. Clark,H. R. Thomas +1 more
TL;DR: In this article, the authors measured the mean free path of poly(p-xylylene) polymers as a function of the kinetic energy of the poly(poly(p)-polymer.
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