Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/163925
Title: Phase properties and wetting transitions of simple gases on graphite─characteristic temperatures of monolayer adsorbate
Authors: Loi, Quang K.
Tan, Johnathan Shiliang
Do, D. D.
Nicholson, D.
Keywords: Engineering::Chemical engineering
Issue Date: 2022
Source: Loi, Q. K., Tan, J. S., Do, D. D. & Nicholson, D. (2022). Phase properties and wetting transitions of simple gases on graphite─characteristic temperatures of monolayer adsorbate. Journal of Chemical and Engineering Data, 67(7), 1687-1698. https://dx.doi.org/10.1021/acs.jced.1c00911
Journal: Journal of Chemical and Engineering Data
Abstract: Computer simulations were performed to study the characteristic transition temperatures of the adsorbate monolayer transitions on graphite and to determine the layering temperatures for higher layers at temperatures less than the bulk triple point temperature. Two models for graphite were studied to examine the effects of finite size of the graphene layer on the evolution of the characteristics of the monolayer, its boundary with the gas phase, and the resulting isotherm and isosteric heat versus loading. Both models give good agreement with experiment for the 2D-critical point and the 2D-triple point, but the finite model is more successful in representing the experimental isotherm and isosteric heat. Radial density distribution for the monolayer supports this, and it illustrates the manner in which the monolayer is compressed with loading, by mass transfer of molecules from the gas phase through the 1D-boundary of the 2D monolayer adsorbate. As the adsorbed phase grows beyond the monolayer, the structure of the thick adsorbed film was shown to lie between the crystalline structure and the dense supercooled liquid, as reflected in partial wetting, defined as finite loading of the adsorbed film at the bulk sublimation pressure.
URI: https://hdl.handle.net/10356/163925
ISSN: 0021-9568
DOI: 10.1021/acs.jced.1c00911
Rights: © 2022 American Chemical Society. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:SCBE Journal Articles

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