DOI: 10.1063/1.463130. Structure and dynamics of <i>n</i>-alkanes confined by solid surfaces. I. Stationary crystalline boundaries

Structure and dynamics of n-alkanes confined by solid surfaces. I. Stationary crystalline boundaries

10.1063/1.463130

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Structural and dynamical properties of n-hexadecane films confined between two crystalline solid substrates are investigated using molecular-dynamics simulations for a range of molecule-to-solid interaction strengths, external loads, and film thicknesses. The confined films are infinite in extent in one of the directions parallel to the solid surfaces and finite in the other direction exposing a liquid-to-vacuum interface (i.e., semidroplet configuration). At sufficiently high loads, whose magnitude depends upon the molecule-to-surface interaction strength, layering, i.e., oscillations in the film density in the direction normal to the boundary, occurs accompanied by an enhancement of surface-parallel orientational ordering of the molecules in the interfacial region. In addition, preferential interfacial adsorption of chain ends, as well as molecular conformations enhancing bridging of the two solid surfaces, are observed. The dynamics of thinning, from a three- to a two-layer film, exhibits a marked dependence on the molecule-to-surface interaction strength. At a critical load the relatively strong adsorption system exhibits a sudden collapse to two layers, resulting in lateral stress accumulation, and subsequent spreading via a cooperative mechanism. On the other hand, thinning of the weakly adsorbed film is gradual, with no stress accumulation, accompanied by spreading occurring via diffusion and adsorption of molecules at the liquid-to-vacuum interface.

Bibliography

Ribarsky, M. W., & Landman, U. (1992). Structure and dynamics of n-alkanes confined by solid surfaces. I. Stationary crystalline boundaries. The Journal of Chemical Physics, 97(3), 1937â1949.

Authors 2

M. W. Ribarsky (first)
Uzi Landman (additional)

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Dates

Type	When
Created	23 years ago (July 26, 2002, 9:59 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9:34 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 3:33 a.m.)
Issued	33 years ago (Aug. 1, 1992)
Published	33 years ago (Aug. 1, 1992)
Published Print	33 years ago (Aug. 1, 1992)

Funders 0

None

BibTeX

@article{Ribarsky_1992, title={Structure and dynamics of n-alkanes confined by solid surfaces. I. Stationary crystalline boundaries}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463130}, DOI={10.1063/1.463130}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ribarsky, M. W. and Landman, Uzi}, year={1992}, month=aug, pages={1937–1949} }

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