Compounding effects of fluid confinement and surface strain on the wet–dry transition, thermodynamic response, and dynamics of water–graphene systems

Chialvo, Ariel A.; Vlcek, Lukas; Cummings, Peter T.

doi:10.1080/00268976.2014.968228

Title: Compounding effects of fluid confinement and surface strain on the wet–dry transition, thermodynamic response, and dynamics of water–graphene systems

Journal Article · Fri Oct 17 00:00:00 EDT 2014 · Molecular Physics

DOI:https://doi.org/10.1080/00268976.2014.968228· OSTI ID:1225416

Chialvo, Ariel A. ^[1]; Vlcek, Lukas ^[1]; Cummings, Peter T. ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Vanderbilt Univ., Nashville, TN (United States)

We studied the link between the water-mediated (tensile or compressive) strain-driven hydration free energy changes in the association process involving finite-size graphene surfaces, the resulting water-graphene interfacial behavior, and the combined effect of surface strain and fluid confinement on the thermodynamic response functions and the dynamics of water. In this study, we found that either small surface corrugation (compressive strain) or surface stretching (tensile strain) is able to enhance significantly the water-graphene hydrophobicity relative to that of the unstrained surface, an effect that exacerbates the confinement impact on the isothermal compressibility and isobaric thermal expansivity of confined water, as well as on the slowing down of its dynamics that gives rise to anomalous diffusivity.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1225416

Journal Information:: Molecular Physics, Vol. 113, Issue 9-10; ISSN 0026-8976

Publisher:: Taylor & FrancisCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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