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dc.contributor.authorGalteland, Olav
dc.contributor.authorBedeaux, Dick
dc.contributor.authorKjelstrup, Signe
dc.description.abstractWe have described for the first time the thermodynamic state of a highly confined single-phase and single-component fluid in a slit pore using Hill’s thermodynamics of small systems. Hill’s theory has been named nanothermodynamics. We started by constructing an ensemble of slit pores for controlled temperature, volume, surface area, and chemical potential. We have presented the integral and differential properties according to Hill, and used them to define the disjoining pressure on the new basis. We identified all thermodynamic pressures by their mechanical counterparts in a consistent manner, and have given evidence that the identification holds true using molecular simulations. We computed the entropy and energy densities, and found in agreement with the literature, that the structures at the wall are of an energetic, not entropic nature. We have shown that the subdivision potential is unequal to zero for small wall surface areas. We have showed how Hill’s method can be used to find new Maxwell relations of a confined fluid, in addition to a scaling relation, which applies when the walls are far enough apart. By this expansion of nanothermodynamics, we have set the stage for further developments of the thermodynamics of confined fluids, a field that is central in nanotechnology.en_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.titleNanothermodynamic Description and Molecular Simulation of a Single-Phase Fluid in a Slit Poreen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.localcode© 2021 by the authors. LicenseeMDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the CreativeCommonsAttribution (CCBY) license ( licenses/by/4.0/).en_US

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Navngivelse 4.0 Internasjonal
Except where otherwise noted, this item's license is described as Navngivelse 4.0 Internasjonal